TL;DR: Methyl 4-[(1-benzyl-6-oxopyridine-3-carbonyl)amino]benzoate (CAS 1004256-23-8) is a chemical compound with molecular formula C21H18N2O4 and molecular weight 362.12665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[(1-benzyl-6-oxopyridine-3-carbonyl)amino]benzoate
Also Known As: VU0495303-1, methyl 4-[(1-benzyl-6-oxopyridine-3-carbonyl)amino]benzoate, F2744-0036, methyl 4-(1-benzyl-6-oxo-1,6-dihydropyridine-3-amido)benzoate, methyl 4-(1-benzyl-6-oxo-1,6-dihydropyridine-3-carboxamido)benzoate
| Molecular Formula | C21H18N2O4 |
| Molecular Weight | 362.12665 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.12665 Da |
| Heavy Atoms | 27 |
| Complexity | 626.0 |
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(C(=O)C=C2)CC3=CC=CC=C3 |
| InChIKey | ICBWFNIQDCVAOA-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[(1-benzyl-6-oxopyridine-3-carbonyl)amino]benzoate. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[(1-benzyl-6-oxopyridine-3-carbonyl)amino]benzoate. Following Lipinski's Rule of Five, Methyl 4-[(1-benzyl-6-oxopyridine-3-carbonyl)amino]benzoate 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 Methyl 4-[(1-benzyl-6-oxopyridine-3-carbonyl)amino]benzoate is 1004256-23-8.
The molecular formula of Methyl 4-[(1-benzyl-6-oxopyridine-3-carbonyl)amino]benzoate is C21H18N2O4.
The molecular weight of Methyl 4-[(1-benzyl-6-oxopyridine-3-carbonyl)amino]benzoate is 362.12665 g/mol.
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