2-Amino-4-(cyanomethyl)-6-(4-methylanilino)pyridine-3,5-dicarbonitrile
TL;DR: 2-Amino-4-(cyanomethyl)-6-(4-methylanilino)pyridine-3,5-dicarbonitrile (CAS 448939-89-7) is a chemical compound with molecular formula C16H12N6 and molecular weight 288.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(cyanomethyl)-6-(4-methylanilino)pyridine-3,5-dicarbonitrile
Also Known As: 2-amino-4-(cyanomethyl)-6-(4-methylanilino)pyridine-3,5-dicarbonitrile, AS-871/15339908, 2-amino-4-(cyanomethyl)-6-[(4-methylphenyl)amino]pyridine-3,5-dicarbonitrile, 2-amino-4-(cyanomethyl)-6-(4-toluidino)-3,5-pyridinedicarbonitrile
| Molecular Formula | C16H12N6 |
|---|---|
| Molecular Weight | 288.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.11234 |
| Heavy Atoms | 22 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 448939-89-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=C(C(=C(C(=N2)N)C#N)CC#N)C#N |
| InChIKey | QRHIXGRKPXHXFJ-UHFFFAOYSA-N |
Product Overview
2-Amino-4-(cyanomethyl)-6-(4-methylanilino)pyridine-3,5-dicarbonitrile (CAS 448939-89-7), with molecular formula C16H12N6 and molecular weight 288.11 g/mol. IUPAC: 2-amino-4-(cyanomethyl)-6-(4-methylanilino)pyridine-3,5-dicarbonitrile.
Chemical Property Profile of 2-Amino-4-(cyanomethyl)-6-(4-methylanilino)pyridine-3,5-dicarbonitrile
Property Insights of 2-Amino-4-(cyanomethyl)-6-(4-methylanilino)pyridine-3,5-dicarbonitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-4-(cyanomethyl)-6-(4-methylanilino)pyridine-3,5-dicarbonitrile. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-(cyanomethyl)-6-(4-methylanilino)pyridine-3,5-dicarbonitrile. Following Lipinski's Rule of Five, 2-Amino-4-(cyanomethyl)-6-(4-methylanilino)pyridine-3,5-dicarbonitrile has 2 hydrogen bond donor(s) and 6 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 2-Amino-4-(cyanomethyl)-6-(4-methylanilino)pyridine-3,5-dicarbonitrile?
The CAS number of 2-Amino-4-(cyanomethyl)-6-(4-methylanilino)pyridine-3,5-dicarbonitrile is 448939-89-7.
What is the molecular formula of 2-Amino-4-(cyanomethyl)-6-(4-methylanilino)pyridine-3,5-dicarbonitrile?
The molecular formula of 2-Amino-4-(cyanomethyl)-6-(4-methylanilino)pyridine-3,5-dicarbonitrile is C16H12N6.
What is the molecular weight of 2-Amino-4-(cyanomethyl)-6-(4-methylanilino)pyridine-3,5-dicarbonitrile?
The molecular weight of 2-Amino-4-(cyanomethyl)-6-(4-methylanilino)pyridine-3,5-dicarbonitrile is 288.11 g/mol.
Where can I buy 2-Amino-4-(cyanomethyl)-6-(4-methylanilino)pyridine-3,5-dicarbonitrile?
You can request a quote for 2-Amino-4-(cyanomethyl)-6-(4-methylanilino)pyridine-3,5-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4-(cyanomethyl)-6-(4-methylanilino)pyridine-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-(cyanomethyl)-6-(4-methylanilino)pyridine-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.