2-(Benzylamino)-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile
TL;DR: 2-(Benzylamino)-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile (CAS 300591-12-2) is a chemical compound with molecular formula C16H16N4O3 and molecular weight 312.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylamino)-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile
Also Known As: A4032/0171862, 2-(benzylamino)-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile, 2-(benzylamino)-4-(methoxymethyl)-6-methyl-5-nitronicotinonitrile
| Molecular Formula | C16H16N4O3 |
|---|---|
| Molecular Weight | 312.12 g/mol |
| LogP | 2.9284 |
| Topological Polar Surface Area | 101.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.12225 |
| Heavy Atoms | 23 |
| Complexity | 754.15607 |
Chemical Identifiers
| CAS Number | 300591-12-2 |
|---|---|
| SMILES | CC1=C(C(=C(C(=N1)NCC2=CC=CC=C2)C#N)COC)[N+](=O)[O-] |
Product Overview
2-(Benzylamino)-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile (CAS 300591-12-2), with molecular formula C16H16N4O3 and molecular weight 312.12 g/mol. IUPAC: 2-(benzylamino)-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile.
Chemical Property Profile of 2-(Benzylamino)-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile
Property Insights of 2-(Benzylamino)-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile
The XLogP value of 2.9284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzylamino)-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile. The TPSA of 101.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylamino)-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-(Benzylamino)-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile has 1 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-(Benzylamino)-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile?
The CAS number of 2-(Benzylamino)-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile is 300591-12-2.
What is the molecular formula of 2-(Benzylamino)-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile?
The molecular formula of 2-(Benzylamino)-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile is C16H16N4O3.
What is the molecular weight of 2-(Benzylamino)-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile?
The molecular weight of 2-(Benzylamino)-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile is 312.12 g/mol.
Where can I buy 2-(Benzylamino)-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile?
You can request a quote for 2-(Benzylamino)-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylamino)-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylamino)-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.