2-(Dibenzylamino)-4-(dimethylamino)nicotinonitrile
TL;DR: 2-(Dibenzylamino)-4-(dimethylamino)nicotinonitrile (CAS 172984-75-7) is a chemical compound with molecular formula C22H22N4 and molecular weight 342.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dibenzylamino)-4-(dimethylamino)pyridine-3-carbonitrile
Also Known As: 2-(Dibenzylamino)-4-(dimethylamino)nicotinonitrile, AH-262/31837023, 2-(dibenzylamino)-4-(dimethylamino)pyridine-3-carbonitrile, 2-(Dibenzylamino)-4-(dimethylamino)nicotinonitrile #, 2-(dibenzylamino)-4-(dimethylamino)nicotinonitrile hydrochloride
| Molecular Formula | C22H22N4 |
|---|---|
| Molecular Weight | 342.18 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 43.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.18445 |
| Heavy Atoms | 26 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 172984-75-7 |
|---|---|
| SMILES | CN(C)C1=C(C(=NC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C#N |
| InChIKey | CCNHJWKQNZUWBC-UHFFFAOYSA-N |
Product Overview
2-(Dibenzylamino)-4-(dimethylamino)nicotinonitrile (CAS 172984-75-7), with molecular formula C22H22N4 and molecular weight 342.18 g/mol. IUPAC: 2-(dibenzylamino)-4-(dimethylamino)pyridine-3-carbonitrile.
Chemical Property Profile of 2-(Dibenzylamino)-4-(dimethylamino)nicotinonitrile
Property Insights of 2-(Dibenzylamino)-4-(dimethylamino)nicotinonitrile
The XLogP value of 4.1 indicates that 2-(Dibenzylamino)-4-(dimethylamino)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.2 Ų, 2-(Dibenzylamino)-4-(dimethylamino)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Dibenzylamino)-4-(dimethylamino)nicotinonitrile 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 2-(Dibenzylamino)-4-(dimethylamino)nicotinonitrile?
The CAS number of 2-(Dibenzylamino)-4-(dimethylamino)nicotinonitrile is 172984-75-7.
What is the molecular formula of 2-(Dibenzylamino)-4-(dimethylamino)nicotinonitrile?
The molecular formula of 2-(Dibenzylamino)-4-(dimethylamino)nicotinonitrile is C22H22N4.
What is the molecular weight of 2-(Dibenzylamino)-4-(dimethylamino)nicotinonitrile?
The molecular weight of 2-(Dibenzylamino)-4-(dimethylamino)nicotinonitrile is 342.18 g/mol.
Where can I buy 2-(Dibenzylamino)-4-(dimethylamino)nicotinonitrile?
You can request a quote for 2-(Dibenzylamino)-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-(Dibenzylamino)-4-(dimethylamino)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dibenzylamino)-4-(dimethylamino)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.