N-(3-Chloro-4-pyrrolidin-1-yl-phenyl)-nicotinamide
TL;DR: N-(3-Chloro-4-pyrrolidin-1-yl-phenyl)-nicotinamide (CAS 431906-39-7) is a chemical compound with molecular formula C16H16ClN3O and molecular weight 301.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
Also Known As: BAS 03416857, N-(3-Chloro-4-pyrrolidin-1-yl-phenyl)-nicotinamide, N-(3-chloro-4-(pyrrolidin-1-yl)phenyl)nicotinamide, N-(3-chloro-4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide, N-[3-chloro-4-(pyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
| Molecular Formula | C16H16ClN3O |
|---|---|
| Molecular Weight | 301.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 45.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.09818 |
| Heavy Atoms | 21 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 431906-39-7 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C3=CN=CC=C3)Cl |
| InChIKey | WHPVSPHJZFJDTM-UHFFFAOYSA-N |
Product Overview
N-(3-Chloro-4-pyrrolidin-1-yl-phenyl)-nicotinamide (CAS 431906-39-7), with molecular formula C16H16ClN3O and molecular weight 301.10 g/mol. IUPAC: N-(3-chloro-4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide.
Chemical Property Profile of N-(3-Chloro-4-pyrrolidin-1-yl-phenyl)-nicotinamide
Property Insights of N-(3-Chloro-4-pyrrolidin-1-yl-phenyl)-nicotinamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Chloro-4-pyrrolidin-1-yl-phenyl)-nicotinamide. With a topological polar surface area (TPSA) of 45.2 Ų, N-(3-Chloro-4-pyrrolidin-1-yl-phenyl)-nicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-Chloro-4-pyrrolidin-1-yl-phenyl)-nicotinamide has 1 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 N-(3-Chloro-4-pyrrolidin-1-yl-phenyl)-nicotinamide?
The CAS number of N-(3-Chloro-4-pyrrolidin-1-yl-phenyl)-nicotinamide is 431906-39-7.
What is the molecular formula of N-(3-Chloro-4-pyrrolidin-1-yl-phenyl)-nicotinamide?
The molecular formula of N-(3-Chloro-4-pyrrolidin-1-yl-phenyl)-nicotinamide is C16H16ClN3O.
What is the molecular weight of N-(3-Chloro-4-pyrrolidin-1-yl-phenyl)-nicotinamide?
The molecular weight of N-(3-Chloro-4-pyrrolidin-1-yl-phenyl)-nicotinamide is 301.10 g/mol.
Where can I buy N-(3-Chloro-4-pyrrolidin-1-yl-phenyl)-nicotinamide?
You can request a quote for N-(3-Chloro-4-pyrrolidin-1-yl-phenyl)-nicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Chloro-4-pyrrolidin-1-yl-phenyl)-nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Chloro-4-pyrrolidin-1-yl-phenyl)-nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.