N-tert-Butyl-N-(N'-cyano-N-(3-pyridyl)amidino)isobutyramide
TL;DR: N-tert-Butyl-N-(N'-cyano-N-(3-pyridyl)amidino)isobutyramide (CAS 67026-86-2) is a chemical compound with molecular formula C15H21N5O and molecular weight 287.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-N-(N-cyano-N'-pyridin-3-ylcarbamimidoyl)-2-methylpropanamide
Also Known As: N-tert-Butyl-N-(N'-cyano-N-(3-pyridyl)amidino)isobutyramide, Isobutyramide, N-tert-butyl-N-(N'-cyano-N-(3-pyridyl)amidino)-, Propanamide, N-((cyanoamino)(3-pyridinylimino)methyl)-N-(1,1-dimethylethyl)-2-methyl-, N-((Cyanoamino)(3-pyridinylimino)methyl)-N-(1,1-dimethylethyl)-2-methylpropanamide, N-tert-butyl-N-(N-cyano-N'-pyridin-3-ylcarbamimidoyl)-2-methylpropanamide
| Molecular Formula | C15H21N5O |
|---|---|
| Molecular Weight | 287.17 g/mol |
| LogP | 2.42288 |
| Topological Polar Surface Area | 81.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.17462 |
| Heavy Atoms | 21 |
| Complexity | 551.667 |
Chemical Identifiers
| CAS Number | 67026-86-2 |
|---|---|
| SMILES | CC(C)C(=O)N(C(=NC1=CN=CC=C1)NC#N)C(C)(C)C |
Product Overview
N-tert-Butyl-N-(N'-cyano-N-(3-pyridyl)amidino)isobutyramide (CAS 67026-86-2), with molecular formula C15H21N5O and molecular weight 287.17 g/mol. IUPAC: N-tert-butyl-N-(N-cyano-N'-pyridin-3-ylcarbamimidoyl)-2-methylpropanamide.
Chemical Property Profile of N-tert-Butyl-N-(N'-cyano-N-(3-pyridyl)amidino)isobutyramide
Property Insights of N-tert-Butyl-N-(N'-cyano-N-(3-pyridyl)amidino)isobutyramide
The XLogP value of 2.42288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-Butyl-N-(N'-cyano-N-(3-pyridyl)amidino)isobutyramide. The TPSA of 81.38 Ų falls within the moderate polarity range, balancing permeability and solubility for N-tert-Butyl-N-(N'-cyano-N-(3-pyridyl)amidino)isobutyramide. Following Lipinski's Rule of Five, N-tert-Butyl-N-(N'-cyano-N-(3-pyridyl)amidino)isobutyramide has 1 hydrogen bond donor(s) and 4 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-tert-Butyl-N-(N'-cyano-N-(3-pyridyl)amidino)isobutyramide?
The CAS number of N-tert-Butyl-N-(N'-cyano-N-(3-pyridyl)amidino)isobutyramide is 67026-86-2.
What is the molecular formula of N-tert-Butyl-N-(N'-cyano-N-(3-pyridyl)amidino)isobutyramide?
The molecular formula of N-tert-Butyl-N-(N'-cyano-N-(3-pyridyl)amidino)isobutyramide is C15H21N5O.
What is the molecular weight of N-tert-Butyl-N-(N'-cyano-N-(3-pyridyl)amidino)isobutyramide?
The molecular weight of N-tert-Butyl-N-(N'-cyano-N-(3-pyridyl)amidino)isobutyramide is 287.17 g/mol.
Where can I buy N-tert-Butyl-N-(N'-cyano-N-(3-pyridyl)amidino)isobutyramide?
You can request a quote for N-tert-Butyl-N-(N'-cyano-N-(3-pyridyl)amidino)isobutyramide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-Butyl-N-(N'-cyano-N-(3-pyridyl)amidino)isobutyramide?
Yes, KEHONG BIO provides custom synthesis services for N-tert-Butyl-N-(N'-cyano-N-(3-pyridyl)amidino)isobutyramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.