N-Isopropylnicotinamide
TL;DR: N-Isopropylnicotinamide (CAS 18960-16-2) is a chemical compound with molecular formula C9H12N2O and molecular weight 164.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-propan-2-ylpyridine-3-carboxamide
Also Known As: N-Isopropylnicotinamide, Nikethamide Impurity 13, NICOTINAMIDE IMPURITY 4, N-propan-2-ylpyridine-3-carboxamide, N-Isopropyl-3-pyridinecarboxamide
| Molecular Formula | C9H12N2O |
|---|---|
| Molecular Weight | 164.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.09496 |
| Heavy Atoms | 12 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 18960-16-2 |
|---|---|
| SMILES | CC(C)NC(=O)C1=CN=CC=C1 |
| InChIKey | ULLMVAPKQOJUCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Isopropylnicotinamide (CAS 18960-16-2), with molecular formula C9H12N2O and molecular weight 164.09 g/mol. IUPAC: N-propan-2-ylpyridine-3-carboxamide.
Chemical Property Profile of N-Isopropylnicotinamide
Property Insights of N-Isopropylnicotinamide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Isopropylnicotinamide. With a topological polar surface area (TPSA) of 42.0 Ų, N-Isopropylnicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Isopropylnicotinamide 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-Isopropylnicotinamide?
The CAS number of N-Isopropylnicotinamide is 18960-16-2.
What is the molecular formula of N-Isopropylnicotinamide?
The molecular formula of N-Isopropylnicotinamide is C9H12N2O.
What is the molecular weight of N-Isopropylnicotinamide?
The molecular weight of N-Isopropylnicotinamide is 164.09 g/mol.
Where can I buy N-Isopropylnicotinamide?
You can request a quote for N-Isopropylnicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Isopropylnicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-Isopropylnicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.