TL;DR: 4,6-Dimethyl-2-[(2-methylphenyl)amino]pyridine-3-carbonitrile (CAS 122715-08-6) is a chemical compound with molecular formula C15H15N3 and molecular weight 237.1266 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,6-dimethyl-2-(2-methylanilino)pyridine-3-carbonitrile
Also Known As: 4,6-Dimethyl-2-o-tolylamino-nicotinonitrile, BAS 00648494, 4,6-dimethyl-2-(o-toluidino)nicotinonitrile, 4,6-dimethyl-2-(2-toluidino)nicotinonitrile, 4,6-dimethyl-2-(o-tolylamino)nicotinonitrile
| Molecular Formula | C15H15N3 |
| Molecular Weight | 237.1266 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 48.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.1266 Da |
| Heavy Atoms | 18 |
| Complexity | 319.0 |
| SMILES | CC1=CC=CC=C1NC2=C(C(=CC(=N2)C)C)C#N |
| InChIKey | JVUSGBZYLIGXOD-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 4,6-Dimethyl-2-[(2-methylphenyl)amino]pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.7 Ų, 4,6-Dimethyl-2-[(2-methylphenyl)amino]pyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dimethyl-2-[(2-methylphenyl)amino]pyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4,6-Dimethyl-2-[(2-methylphenyl)amino]pyridine-3-carbonitrile is 122715-08-6.
The molecular formula of 4,6-Dimethyl-2-[(2-methylphenyl)amino]pyridine-3-carbonitrile is C15H15N3.
The molecular weight of 4,6-Dimethyl-2-[(2-methylphenyl)amino]pyridine-3-carbonitrile is 237.1266 g/mol.
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