TL;DR: 3-(Aziridin-1-yl)-N-(4-chlorophenyl)-2-hydroxy-3-(pyridin-3-yl)propanamide (CAS 120978-25-8) is a chemical compound with molecular formula C16H16ClN3O2 and molecular weight 317.0931 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(aziridin-1-yl)-N-(4-chlorophenyl)-2-hydroxy-3-pyridin-3-ylpropanamide
Also Known As: beta-(1-Aziridinyl)-N-(4-chlorophenyl)-alpha-hydroxy-3-pyridinepropanamide, 3-Pyridinepropanamide, beta-(1-aziridinyl)-N-(4-chlorophenyl)-alpha-hydroxy-, 3-(AZIRIDIN-1-YL)-N-(4-CHLOROPHENYL)-2-HYDROXY-3-(PYRIDIN-3-YL)PROPANAMIDE, 3-(aziridin-1-yl)-N-(4-chlorophenyl)-2-hydroxy-3-pyridin-3-ylpropanamide
| Molecular Formula | C16H16ClN3O2 |
| Molecular Weight | 317.0931 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 65.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.0931 Da |
| Heavy Atoms | 22 |
| Complexity | 384.0 |
| SMILES | C1CN1C(C2=CN=CC=C2)C(C(=O)NC3=CC=C(C=C3)Cl)O |
| InChIKey | PPVQHRKKASUGRA-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Aziridin-1-yl)-N-(4-chlorophenyl)-2-hydroxy-3-(pyridin-3-yl)propanamide. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Aziridin-1-yl)-N-(4-chlorophenyl)-2-hydroxy-3-(pyridin-3-yl)propanamide. Following Lipinski's Rule of Five, 3-(Aziridin-1-yl)-N-(4-chlorophenyl)-2-hydroxy-3-(pyridin-3-yl)propanamide 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 3-(Aziridin-1-yl)-N-(4-chlorophenyl)-2-hydroxy-3-(pyridin-3-yl)propanamide is 120978-25-8.
The molecular formula of 3-(Aziridin-1-yl)-N-(4-chlorophenyl)-2-hydroxy-3-(pyridin-3-yl)propanamide is C16H16ClN3O2.
The molecular weight of 3-(Aziridin-1-yl)-N-(4-chlorophenyl)-2-hydroxy-3-(pyridin-3-yl)propanamide is 317.0931 g/mol.
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