N-(tert-butyl)isonicotinamide
TL;DR: N-(tert-butyl)isonicotinamide (CAS 65321-30-4) 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-tert-butylpyridine-4-carboxamide
Also Known As: N-(tert-butyl)isonicotinamide, N-TERT-BUTYLISONICOTINAMIDE, N-tert-butylpyridine-4-carboxamide, N-t-Butylisonicotinamide, N-t-butyl-isonicotinamide
| Molecular Formula | C10H14N2O |
|---|---|
| Molecular Weight | 178.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.11061 |
| Heavy Atoms | 13 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 65321-30-4 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C1=CC=NC=C1 |
| InChIKey | PKBWFGLUBMOFKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(tert-butyl)isonicotinamide (CAS 65321-30-4), with molecular formula C10H14N2O and molecular weight 178.11 g/mol. IUPAC: N-tert-butylpyridine-4-carboxamide.
Chemical Property Profile of N-(tert-butyl)isonicotinamide
Property Insights of N-(tert-butyl)isonicotinamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(tert-butyl)isonicotinamide. With a topological polar surface area (TPSA) of 42.0 Ų, N-(tert-butyl)isonicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(tert-butyl)isonicotinamide 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-(tert-butyl)isonicotinamide?
The CAS number of N-(tert-butyl)isonicotinamide is 65321-30-4.
What is the molecular formula of N-(tert-butyl)isonicotinamide?
The molecular formula of N-(tert-butyl)isonicotinamide is C10H14N2O.
What is the molecular weight of N-(tert-butyl)isonicotinamide?
The molecular weight of N-(tert-butyl)isonicotinamide is 178.11 g/mol.
Where can I buy N-(tert-butyl)isonicotinamide?
You can request a quote for N-(tert-butyl)isonicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(tert-butyl)isonicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-(tert-butyl)isonicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.