N-(2-methylbut-3-yn-2-yl)pyridine-3-carboxamide
TL;DR: N-(2-methylbut-3-yn-2-yl)pyridine-3-carboxamide (CAS 214421-01-9) is a chemical compound with molecular formula C11H12N2O and molecular weight 188.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylbut-3-yn-2-yl)pyridine-3-carboxamide
Also Known As: ZERO/003217, N-(2-Methylbut-3-yn-2-yl)nicotinamide, {N}-(1,1-dimethylprop-2-yn-1-yl)nicotinamide, N-(2-methylbut-3-yn-2-yl)pyridine-3-carboxamide, N-3'-(1,1-dimethyl-2-propynyl)nicotinamide
| Molecular Formula | C11H12N2O |
|---|---|
| Molecular Weight | 188.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.09496 |
| Heavy Atoms | 14 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 214421-01-9 |
|---|---|
| SMILES | CC(C)(C#C)NC(=O)C1=CN=CC=C1 |
| InChIKey | XTYJHTLICUFWPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-methylbut-3-yn-2-yl)pyridine-3-carboxamide (CAS 214421-01-9), with molecular formula C11H12N2O and molecular weight 188.09 g/mol. IUPAC: N-(2-methylbut-3-yn-2-yl)pyridine-3-carboxamide.
Chemical Property Profile of N-(2-methylbut-3-yn-2-yl)pyridine-3-carboxamide
Property Insights of N-(2-methylbut-3-yn-2-yl)pyridine-3-carboxamide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-methylbut-3-yn-2-yl)pyridine-3-carboxamide. With a topological polar surface area (TPSA) of 42.0 Ų, N-(2-methylbut-3-yn-2-yl)pyridine-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-methylbut-3-yn-2-yl)pyridine-3-carboxamide 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-(2-methylbut-3-yn-2-yl)pyridine-3-carboxamide?
The CAS number of N-(2-methylbut-3-yn-2-yl)pyridine-3-carboxamide is 214421-01-9.
What is the molecular formula of N-(2-methylbut-3-yn-2-yl)pyridine-3-carboxamide?
The molecular formula of N-(2-methylbut-3-yn-2-yl)pyridine-3-carboxamide is C11H12N2O.
What is the molecular weight of N-(2-methylbut-3-yn-2-yl)pyridine-3-carboxamide?
The molecular weight of N-(2-methylbut-3-yn-2-yl)pyridine-3-carboxamide is 188.09 g/mol.
Where can I buy N-(2-methylbut-3-yn-2-yl)pyridine-3-carboxamide?
You can request a quote for N-(2-methylbut-3-yn-2-yl)pyridine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-methylbut-3-yn-2-yl)pyridine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methylbut-3-yn-2-yl)pyridine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.