TL;DR: 2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((2-nitrophenyl)methyl)amino)- (CAS 145901-81-1) is a chemical compound with molecular formula C15H17N3O3 and molecular weight 287.12698 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-ethyl-6-methyl-3-[(2-nitrophenyl)methylamino]-1H-pyridin-2-one
Also Known As: Pyridinone deriv., 2-pyridinone deriv. 30, 2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((2-nitrophenyl)methyl)amino)-, 3-((2-Nitrobenzyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one, 3-[(2-Nitrobenzyl)amino]-5-ethyl-6-methylpyridin-2(1H)-one
| Molecular Formula | C15H17N3O3 |
| Molecular Weight | 287.12698 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 87.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.12698 Da |
| Heavy Atoms | 21 |
| Complexity | 491.0 |
| SMILES | CCC1=C(NC(=O)C(=C1)NCC2=CC=CC=C2[N+](=O)[O-])C |
| InChIKey | TYOSQPFZNSZNQM-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((2-nitrophenyl)methyl)amino)-. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((2-nitrophenyl)methyl)amino)-. Following Lipinski's Rule of Five, 2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((2-nitrophenyl)methyl)amino)- has 2 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 2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((2-nitrophenyl)methyl)amino)- is 145901-81-1.
The molecular formula of 2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((2-nitrophenyl)methyl)amino)- is C15H17N3O3.
The molecular weight of 2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((2-nitrophenyl)methyl)amino)- is 287.12698 g/mol.
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