3-Pyridinecarboxamide, N-hexyl-
TL;DR: 3-Pyridinecarboxamide, N-hexyl- (CAS 78114-56-4) is a chemical compound with molecular formula C12H18N2O and molecular weight 206.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-hexylpyridine-3-carboxamide
Also Known As: n-hexyl nicotinamide, N-hexylpyridine-3-carboxamide, N-Hexylnicotinamide, N-1-hexylnicotinamide, N-Hexyl-3-pyridinecarboxamide
| Molecular Formula | C12H18N2O |
|---|---|
| Molecular Weight | 206.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.1419 |
| Heavy Atoms | 15 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 78114-56-4 |
|---|---|
| SMILES | CCCCCCNC(=O)C1=CN=CC=C1 |
| InChIKey | QNWFROSVYQTOPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Pyridinecarboxamide, N-hexyl- (CAS 78114-56-4), with molecular formula C12H18N2O and molecular weight 206.14 g/mol. IUPAC: N-hexylpyridine-3-carboxamide.
Chemical Property Profile of 3-Pyridinecarboxamide, N-hexyl-
Property Insights of 3-Pyridinecarboxamide, N-hexyl-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarboxamide, N-hexyl-. With a topological polar surface area (TPSA) of 42.0 Ų, 3-Pyridinecarboxamide, N-hexyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarboxamide, N-hexyl- has 1 hydrogen bond donor(s) and 2 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 3-Pyridinecarboxamide, N-hexyl-?
The CAS number of 3-Pyridinecarboxamide, N-hexyl- is 78114-56-4.
What is the molecular formula of 3-Pyridinecarboxamide, N-hexyl-?
The molecular formula of 3-Pyridinecarboxamide, N-hexyl- is C12H18N2O.
What is the molecular weight of 3-Pyridinecarboxamide, N-hexyl-?
The molecular weight of 3-Pyridinecarboxamide, N-hexyl- is 206.14 g/mol.
Where can I buy 3-Pyridinecarboxamide, N-hexyl-?
You can request a quote for 3-Pyridinecarboxamide, N-hexyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarboxamide, N-hexyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxamide, N-hexyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.