2-(Benzylamino)-4,6-dimethylnicotinonitrile
TL;DR: 2-(Benzylamino)-4,6-dimethylnicotinonitrile (CAS 68100-39-0) is a chemical compound with molecular formula C15H15N3 and molecular weight 237.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylamino)-4,6-dimethylpyridine-3-carbonitrile
Also Known As: 2-(benzylamino)-4,6-dimethylnicotinonitrile, BAS 00648512, 2-(benzylamino)-4,6-dimethylpyridine-3-carbonitrile, 2-Benzylamino-4,6-dimethyl-nicotinonitrile
| Molecular Formula | C15H15N3 |
|---|---|
| Molecular Weight | 237.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 48.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.1266 |
| Heavy Atoms | 18 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 68100-39-0 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)NCC2=CC=CC=C2)C |
| InChIKey | ARBAMQHENXLQIA-UHFFFAOYSA-N |
Product Overview
2-(Benzylamino)-4,6-dimethylnicotinonitrile (CAS 68100-39-0), with molecular formula C15H15N3 and molecular weight 237.13 g/mol. IUPAC: 2-(benzylamino)-4,6-dimethylpyridine-3-carbonitrile.
Chemical Property Profile of 2-(Benzylamino)-4,6-dimethylnicotinonitrile
Property Insights of 2-(Benzylamino)-4,6-dimethylnicotinonitrile
The XLogP value of 3.7 indicates that 2-(Benzylamino)-4,6-dimethylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.7 Ų, 2-(Benzylamino)-4,6-dimethylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylamino)-4,6-dimethylnicotinonitrile has 1 hydrogen bond donor(s) and 3 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)-4,6-dimethylnicotinonitrile?
The CAS number of 2-(Benzylamino)-4,6-dimethylnicotinonitrile is 68100-39-0.
What is the molecular formula of 2-(Benzylamino)-4,6-dimethylnicotinonitrile?
The molecular formula of 2-(Benzylamino)-4,6-dimethylnicotinonitrile is C15H15N3.
What is the molecular weight of 2-(Benzylamino)-4,6-dimethylnicotinonitrile?
The molecular weight of 2-(Benzylamino)-4,6-dimethylnicotinonitrile is 237.13 g/mol.
Where can I buy 2-(Benzylamino)-4,6-dimethylnicotinonitrile?
You can request a quote for 2-(Benzylamino)-4,6-dimethylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylamino)-4,6-dimethylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylamino)-4,6-dimethylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.