N,N-Diethylisonicotinamide
TL;DR: N,N-Diethylisonicotinamide (CAS 530-40-5) is a chemical compound with molecular formula C10H14N2O and molecular weight 178.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethylpyridine-4-carboxamide
Also Known As: N,N-Diethylisonicotinamide, Isonicotinic acid diethylamide, N,N-diethylpyridine-4-carboxamide, NICKELSELENIDE, Nikethamide Impurity 4
| Molecular Formula | C10H14N2O |
|---|---|
| Molecular Weight | 178.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.11061 |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 530-40-5 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=CC=NC=C1 |
| InChIKey | CDQAJSRQKGFYDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-Diethylisonicotinamide (CAS 530-40-5), with molecular formula C10H14N2O and molecular weight 178.11 g/mol. IUPAC: N,N-diethylpyridine-4-carboxamide.
Chemical Property Profile of N,N-Diethylisonicotinamide
Property Insights of N,N-Diethylisonicotinamide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Diethylisonicotinamide. With a topological polar surface area (TPSA) of 33.2 Ų, N,N-Diethylisonicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Diethylisonicotinamide has 0 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,N-Diethylisonicotinamide?
The CAS number of N,N-Diethylisonicotinamide is 530-40-5.
What is the molecular formula of N,N-Diethylisonicotinamide?
The molecular formula of N,N-Diethylisonicotinamide is C10H14N2O.
What is the molecular weight of N,N-Diethylisonicotinamide?
The molecular weight of N,N-Diethylisonicotinamide is 178.11 g/mol.
Where can I buy N,N-Diethylisonicotinamide?
You can request a quote for N,N-Diethylisonicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Diethylisonicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-Diethylisonicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.