TL;DR: Ethyl 4-[(3-carbamoylpyridin-2-yl)amino]benzoate (CAS 16344-23-3) is a chemical compound with molecular formula C15H15N3O3 and molecular weight 285.11133 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[(3-carbamoyl-2-pyridinyl)amino]benzoate
Also Known As: ethyl 4-[(3-carbamoylpyridin-2-yl)amino]benzoate, ethyl 4-{[3-(aminocarbonyl)-2-pyridinyl]amino}benzoate, AJ-333/13050066
| Molecular Formula | C15H15N3O3 |
| Molecular Weight | 285.11133 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 94.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.11133 Da |
| Heavy Atoms | 21 |
| Complexity | 367.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)N |
| InChIKey | LJNXTTROFACBLI-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(3-carbamoylpyridin-2-yl)amino]benzoate. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(3-carbamoylpyridin-2-yl)amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[(3-carbamoylpyridin-2-yl)amino]benzoate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethyl 4-[(3-carbamoylpyridin-2-yl)amino]benzoate is 16344-23-3.
The molecular formula of Ethyl 4-[(3-carbamoylpyridin-2-yl)amino]benzoate is C15H15N3O3.
The molecular weight of Ethyl 4-[(3-carbamoylpyridin-2-yl)amino]benzoate is 285.11133 g/mol.
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