2-(4-Chloroanilino)-N-Methylnicotinamide
TL;DR: 2-(4-Chloroanilino)-N-Methylnicotinamide (CAS 345618-34-0) is a chemical compound with molecular formula C13H12ClN3O and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloroanilino)-N-methylpyridine-3-carboxamide
Also Known As: 2-(4-chloroanilino)-N-methylnicotinamide, 2-(4-chloroanilino)-N-methylpyridine-3-carboxamide, 2-((4-Chlorophenyl)amino)-N-methylnicotinamide, AJ-333/13050145, 2-[(4-CHLOROPHENYL)AMINO]-N-METHYLPYRIDINE-3-CARBOXAMIDE
| Molecular Formula | C13H12ClN3O |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 2.8382 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.0669 |
| Heavy Atoms | 18 |
| Complexity | 554.4177 |
Chemical Identifiers
| CAS Number | 345618-34-0 |
|---|---|
| SMILES | CNC(=O)C1=C(N=CC=C1)NC2=CC=C(C=C2)Cl |
Product Overview
2-(4-Chloroanilino)-N-Methylnicotinamide (CAS 345618-34-0), with molecular formula C13H12ClN3O and molecular weight 261.07 g/mol. IUPAC: 2-(4-chloroanilino)-N-methylpyridine-3-carboxamide.
Chemical Property Profile of 2-(4-Chloroanilino)-N-Methylnicotinamide
Property Insights of 2-(4-Chloroanilino)-N-Methylnicotinamide
The XLogP value of 2.8382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chloroanilino)-N-Methylnicotinamide. With a topological polar surface area (TPSA) of 54.02 Ų, 2-(4-Chloroanilino)-N-Methylnicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chloroanilino)-N-Methylnicotinamide 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 2-(4-Chloroanilino)-N-Methylnicotinamide?
The CAS number of 2-(4-Chloroanilino)-N-Methylnicotinamide is 345618-34-0.
What is the molecular formula of 2-(4-Chloroanilino)-N-Methylnicotinamide?
The molecular formula of 2-(4-Chloroanilino)-N-Methylnicotinamide is C13H12ClN3O.
What is the molecular weight of 2-(4-Chloroanilino)-N-Methylnicotinamide?
The molecular weight of 2-(4-Chloroanilino)-N-Methylnicotinamide is 261.07 g/mol.
Where can I buy 2-(4-Chloroanilino)-N-Methylnicotinamide?
You can request a quote for 2-(4-Chloroanilino)-N-Methylnicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chloroanilino)-N-Methylnicotinamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chloroanilino)-N-Methylnicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.