N,N-bis(2-cyanoethyl)nicotinamide
TL;DR: N,N-bis(2-cyanoethyl)nicotinamide (CAS 100517-66-6) is a chemical compound with molecular formula C12H12N4O and molecular weight 228.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-cyanoethyl)pyridine-3-carboxamide
Also Known As: N,N-bis(2-cyanoethyl)nicotinamide, nicotinic acid-[bis-(2-cyano-ethyl)-amide], N,N-bis(2-cyanoethyl)pyridine-3-carboxamide, 3-pyridinecarboxamide, N,N-bis(2-cyanoethyl)-
| Molecular Formula | C12H12N4O |
|---|---|
| Molecular Weight | 228.10 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 80.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.1011 |
| Heavy Atoms | 17 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 100517-66-6 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)N(CCC#N)CCC#N |
| InChIKey | KDAFPQNOIUUORU-UHFFFAOYSA-N |
Product Overview
N,N-bis(2-cyanoethyl)nicotinamide (CAS 100517-66-6), with molecular formula C12H12N4O and molecular weight 228.10 g/mol. IUPAC: N,N-bis(2-cyanoethyl)pyridine-3-carboxamide.
Chemical Property Profile of N,N-bis(2-cyanoethyl)nicotinamide
Property Insights of N,N-bis(2-cyanoethyl)nicotinamide
The XLogP value of -1.0 indicates that N,N-bis(2-cyanoethyl)nicotinamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-bis(2-cyanoethyl)nicotinamide. Following Lipinski's Rule of Five, N,N-bis(2-cyanoethyl)nicotinamide has 0 hydrogen bond donor(s) and 4 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-bis(2-cyanoethyl)nicotinamide?
The CAS number of N,N-bis(2-cyanoethyl)nicotinamide is 100517-66-6.
What is the molecular formula of N,N-bis(2-cyanoethyl)nicotinamide?
The molecular formula of N,N-bis(2-cyanoethyl)nicotinamide is C12H12N4O.
What is the molecular weight of N,N-bis(2-cyanoethyl)nicotinamide?
The molecular weight of N,N-bis(2-cyanoethyl)nicotinamide is 228.10 g/mol.
Where can I buy N,N-bis(2-cyanoethyl)nicotinamide?
You can request a quote for N,N-bis(2-cyanoethyl)nicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-bis(2-cyanoethyl)nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-bis(2-cyanoethyl)nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.