TL;DR: (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)nicotinamide (CAS 1212138-48-1) is a chemical compound with molecular formula C16H17N5OS and molecular weight 327.1154 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-3-carboxamide
Also Known As: (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)nicotinamide, N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-3-carboxamide, N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-3-carboxamide
| Molecular Formula | C16H17N5OS |
| Molecular Weight | 327.1154 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 97.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.1154 Da |
| Heavy Atoms | 23 |
| Complexity | 397.0 |
| SMILES | CSCC[C@@H](C1=NN=C2N1C=CC=C2)NC(=O)C3=CN=CC=C3 |
| InChIKey | BGNRGKUJQSFQEA-ZDUSSCGKSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)nicotinamide. The TPSA of 97.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)nicotinamide. Following Lipinski's Rule of Five, (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)nicotinamide has 1 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 (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)nicotinamide is 1212138-48-1.
The molecular formula of (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)nicotinamide is C16H17N5OS.
The molecular weight of (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)nicotinamide is 327.1154 g/mol.
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