TL;DR: N-benzyl-6-oxo-1,6-dihydropyridine-3-carboxamide (CAS 1003160-68-6) is a chemical compound with molecular formula C13H12N2O2 and molecular weight 228.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-benzyl-6-oxo-1H-pyridine-3-carboxamide
Also Known As: N-benzyl-6-oxo-1,6-dihydropyridine-3-carboxamide
| Molecular Formula | C13H12N2O2 |
| Molecular Weight | 228.08987 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.08987 Da |
| Heavy Atoms | 17 |
| Complexity | 366.0 |
| SMILES | C1=CC=C(C=C1)CNC(=O)C2=CNC(=O)C=C2 |
| InChIKey | XGPIFUINJCGSMZ-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-6-oxo-1,6-dihydropyridine-3-carboxamide. With a topological polar surface area (TPSA) of 58.2 Ų, N-benzyl-6-oxo-1,6-dihydropyridine-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-6-oxo-1,6-dihydropyridine-3-carboxamide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-benzyl-6-oxo-1,6-dihydropyridine-3-carboxamide is 1003160-68-6.
The molecular formula of N-benzyl-6-oxo-1,6-dihydropyridine-3-carboxamide is C13H12N2O2.
The molecular weight of N-benzyl-6-oxo-1,6-dihydropyridine-3-carboxamide is 228.08987 g/mol.
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