2-(Benzylamino)-4-(dimethylamino)nicotinonitrile
TL;DR: 2-(Benzylamino)-4-(dimethylamino)nicotinonitrile (CAS 172984-80-4) is a chemical compound with molecular formula C15H16N4 and molecular weight 252.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylamino)-4-(dimethylamino)pyridine-3-carbonitrile
Also Known As: 2-(benzylamino)-4-(dimethylamino)nicotinonitrile, 2-(benzylamino)-4-(dimethylamino)pyridine-3-carbonitrile, 2-benzylamino-3-cyano-4-dimethylaminopyridine, 4-(dimethylamino)-2-[(phenylmethyl)amino]-3-pyridinecarbonitrile, 4-(dimethylamino)-2-[(phenylmethyl)amino]pyridine-3-carbonitrile
| Molecular Formula | C15H16N4 |
|---|---|
| Molecular Weight | 252.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.1375 |
| Heavy Atoms | 19 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 172984-80-4 |
|---|---|
| SMILES | CN(C)C1=C(C(=NC=C1)NCC2=CC=CC=C2)C#N |
| InChIKey | LIBRLWTYZXTCEB-UHFFFAOYSA-N |
Product Overview
2-(Benzylamino)-4-(dimethylamino)nicotinonitrile (CAS 172984-80-4), with molecular formula C15H16N4 and molecular weight 252.14 g/mol. IUPAC: 2-(benzylamino)-4-(dimethylamino)pyridine-3-carbonitrile.
Chemical Property Profile of 2-(Benzylamino)-4-(dimethylamino)nicotinonitrile
Property Insights of 2-(Benzylamino)-4-(dimethylamino)nicotinonitrile
The XLogP value of 3.1 indicates that 2-(Benzylamino)-4-(dimethylamino)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, 2-(Benzylamino)-4-(dimethylamino)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylamino)-4-(dimethylamino)nicotinonitrile has 1 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 2-(Benzylamino)-4-(dimethylamino)nicotinonitrile?
The CAS number of 2-(Benzylamino)-4-(dimethylamino)nicotinonitrile is 172984-80-4.
What is the molecular formula of 2-(Benzylamino)-4-(dimethylamino)nicotinonitrile?
The molecular formula of 2-(Benzylamino)-4-(dimethylamino)nicotinonitrile is C15H16N4.
What is the molecular weight of 2-(Benzylamino)-4-(dimethylamino)nicotinonitrile?
The molecular weight of 2-(Benzylamino)-4-(dimethylamino)nicotinonitrile is 252.14 g/mol.
Where can I buy 2-(Benzylamino)-4-(dimethylamino)nicotinonitrile?
You can request a quote for 2-(Benzylamino)-4-(dimethylamino)nicotinonitrile 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-(dimethylamino)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylamino)-4-(dimethylamino)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.