Benzonitrile, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)-
TL;DR: Benzonitrile, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)- (CAS 145901-82-2) is a chemical compound with molecular formula C16H17N3O and molecular weight 267.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]benzonitrile
Also Known As: Pyridinone deriv., 2-pyridinone deriv. 31, Benzonitrile, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)-, 3-((2-Cyanobenzyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one, 2-{[(5-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)amino]methyl}benzonitrile
| Molecular Formula | C16H17N3O |
|---|---|
| Molecular Weight | 267.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.13718 |
| Heavy Atoms | 20 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 145901-82-2 |
|---|---|
| SMILES | CCC1=C(NC(=O)C(=C1)NCC2=CC=CC=C2C#N)C |
| InChIKey | WLCJXOPPMUGROU-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)- (CAS 145901-82-2), with molecular formula C16H17N3O and molecular weight 267.14 g/mol. IUPAC: 2-[[(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]benzonitrile.
Chemical Property Profile of Benzonitrile, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)-
Property Insights of Benzonitrile, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)-. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)-. Following Lipinski's Rule of Five, Benzonitrile, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)- has 2 hydrogen bond donor(s) and 3 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 Benzonitrile, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)-?
The CAS number of Benzonitrile, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)- is 145901-82-2.
What is the molecular formula of Benzonitrile, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)-?
The molecular formula of Benzonitrile, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)- is C16H17N3O.
What is the molecular weight of Benzonitrile, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)-?
The molecular weight of Benzonitrile, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)- is 267.14 g/mol.
Where can I buy Benzonitrile, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)-?
You can request a quote for Benzonitrile, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.