![N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide structure](/static/products/956/956181-54-7.png)
N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide
TL;DR: N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide (CAS 956181-54-7) is a chemical compound with molecular formula C20H21F2N3O5 and molecular weight 421.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxopyridine-3-carboxamide
Also Known As: N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide, N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxopyridine-3-carboxamide, 2-({1-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}formamido)-2,3-dimethylbutanamide, 2-({1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxopyridin-3-yl}formamido)-2,3-dimethylbutanamide
| Molecular Formula | C20H21F2N3O5 |
|---|---|
| Molecular Weight | 421.14 g/mol |
| LogP | 1.8479 |
| Topological Polar Surface Area | 112.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.14493 |
| Heavy Atoms | 30 |
| Complexity | 1066.6477 |
Chemical Identifiers
| CAS Number | 956181-54-7 |
|---|---|
| SMILES | CC(C)C(C)(C(=O)N)NC(=O)C1=CC=CN(C1=O)CC2=CC3=C(C=C2)OC(O3)(F)F |
Product Overview
N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide (CAS 956181-54-7), with molecular formula C20H21F2N3O5 and molecular weight 421.14 g/mol. IUPAC: N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxopyridine-3-carboxamide.
Chemical Property Profile of N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide
Property Insights of N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide
The XLogP value of 1.8479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide. The TPSA of 112.65 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide. Following Lipinski's Rule of Five, N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide?
The CAS number of N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide is 956181-54-7.
What is the molecular formula of N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide?
The molecular formula of N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide is C20H21F2N3O5.
What is the molecular weight of N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide?
The molecular weight of N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide is 421.14 g/mol.
Where can I buy N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide?
You can request a quote for N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(aminocarbonyl)-1,2-dimethylpropyl]-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.