N(1)-Ethylnicotinamide
TL;DR: N(1)-Ethylnicotinamide (CAS 14596-52-2) is a chemical compound with molecular formula C8H11ClN2O and molecular weight 186.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethylpyridin-1-ium-3-carboxamide chloride
Also Known As: N(1)-Ethylnicotinamide, Pyridinium, 3-(aminocarbonyl)-1-ethyl-, chloride, 1-ethylpyridin-1-ium-3-carboxamide;chloride, 1-ethylpyridin-1-ium-3-carboxamide chloride, 3-CARBAMOYL-1-ETHYLPYRIDIN-1-IUM CHLORIDE
| Molecular Formula | C8H11ClN2O |
|---|---|
| Molecular Weight | 186.06 g/mol |
| LogP | -2.9 |
| Topological Polar Surface Area | 47.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.05598 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 14596-52-2 |
|---|---|
| SMILES | CC[N+]1=CC=CC(=C1)C(=O)N.[Cl-] |
| InChIKey | PVXGLLAJVUMKTG-UHFFFAOYSA-N |
Product Overview
N(1)-Ethylnicotinamide (CAS 14596-52-2), with molecular formula C8H11ClN2O and molecular weight 186.06 g/mol. IUPAC: 1-ethylpyridin-1-ium-3-carboxamide chloride.
Chemical Property Profile of N(1)-Ethylnicotinamide
Property Insights of N(1)-Ethylnicotinamide
The XLogP value of -2.9 indicates that N(1)-Ethylnicotinamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.0 Ų, N(1)-Ethylnicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N(1)-Ethylnicotinamide 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 N(1)-Ethylnicotinamide?
The CAS number of N(1)-Ethylnicotinamide is 14596-52-2.
What is the molecular formula of N(1)-Ethylnicotinamide?
The molecular formula of N(1)-Ethylnicotinamide is C8H11ClN2O.
What is the molecular weight of N(1)-Ethylnicotinamide?
The molecular weight of N(1)-Ethylnicotinamide is 186.06 g/mol.
Where can I buy N(1)-Ethylnicotinamide?
You can request a quote for N(1)-Ethylnicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N(1)-Ethylnicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N(1)-Ethylnicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.