TL;DR: 3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)- (CAS 137440-93-8) is a chemical compound with molecular formula C16H18N4 and molecular weight 266.15314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(benzylamino)-4-(dimethylamino)-6-methylpyridine-3-carbonitrile
Also Known As: 3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-, 2-(benzylamino)-4-(dimethylamino)-6-methylpyridine-3-carbonitrile, 4-(Dimethylamino)-6-methyl-2-((phenylmethyl)amino)-3-pyridinecarbonitrile, 2-(BENZYLAMINO)-4-(DIMETHYLAMINO)-6-METHYLNICOTINONITRILE, 2-(benzylamino)-4-(dimethylamino)-6-methyl-nicotinonitrile
| Molecular Formula | C16H18N4 |
| Molecular Weight | 266.15314 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.15314 Da |
| Heavy Atoms | 20 |
| Complexity | 340.0 |
| SMILES | CC1=CC(=C(C(=N1)NCC2=CC=CC=C2)C#N)N(C)C |
| InChIKey | NKIDELMZCLMHBH-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, 3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)- is 137440-93-8.
The molecular formula of 3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)- is C16H18N4.
The molecular weight of 3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)- is 266.15314 g/mol.
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