N-isopentylnicotinamide
TL;DR: N-isopentylnicotinamide (CAS 547706-88-7) is a chemical compound with molecular formula C11H16N2O and molecular weight 192.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methylbutyl)pyridine-3-carboxamide
Also Known As: N-isopentylnicotinamide, N-(3-methylbutyl)pyridine-3-carboxamide, AN-652/42190708
| Molecular Formula | C11H16N2O |
|---|---|
| Molecular Weight | 192.13 g/mol |
| LogP | 1.8575 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.12627 |
| Heavy Atoms | 14 |
| Complexity | 282.59882 |
Chemical Identifiers
| CAS Number | 547706-88-7 |
|---|---|
| SMILES | CC(C)CCNC(=O)C1=CN=CC=C1 |
Product Overview
N-isopentylnicotinamide (CAS 547706-88-7), with molecular formula C11H16N2O and molecular weight 192.13 g/mol. IUPAC: N-(3-methylbutyl)pyridine-3-carboxamide.
Chemical Property Profile of N-isopentylnicotinamide
Property Insights of N-isopentylnicotinamide
The XLogP value of 1.8575 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-isopentylnicotinamide. With a topological polar surface area (TPSA) of 41.99 Ų, N-isopentylnicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-isopentylnicotinamide 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-isopentylnicotinamide?
The CAS number of N-isopentylnicotinamide is 547706-88-7.
What is the molecular formula of N-isopentylnicotinamide?
The molecular formula of N-isopentylnicotinamide is C11H16N2O.
What is the molecular weight of N-isopentylnicotinamide?
The molecular weight of N-isopentylnicotinamide is 192.13 g/mol.
Where can I buy N-isopentylnicotinamide?
You can request a quote for N-isopentylnicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-isopentylnicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-isopentylnicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.