TL;DR: N-(4-hydroxy-4-pyridin-3-ylpentyl)-N-methylnitrous amide (CAS 127171-58-8) is a chemical compound with molecular formula C11H17N3O2 and molecular weight 223.13208 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-hydroxy-4-pyridin-3-ylpentyl)-N-methylnitrous amide
Also Known As: N-(4-hydroxy-4-pyridin-3-ylpentyl)-N-methylnitrous amide, 5-[Methyl(nitroso)amino]-2-(3-pyridinyl)-2-pentanol, 3-Pyridinemethanol, alpha-methyl-alpha-(3-(methylnitrosoamino)propyl)-, alpha-Methyl-alpha-[3-(methylnitrosoamino)propyl]-3-pyridinemethanol, 3-Pyridinemethanol, a-methyl-a-[3-(methylnitrosoamino)propyl]-
| Molecular Formula | C11H17N3O2 |
| Molecular Weight | 223.13208 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 65.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.13208 Da |
| Heavy Atoms | 16 |
| Complexity | 225.0 |
| SMILES | CC(CCCN(C)N=O)(C1=CN=CC=C1)O |
| InChIKey | LJBRXWDSIAIFEX-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-hydroxy-4-pyridin-3-ylpentyl)-N-methylnitrous amide. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-hydroxy-4-pyridin-3-ylpentyl)-N-methylnitrous amide. Following Lipinski's Rule of Five, N-(4-hydroxy-4-pyridin-3-ylpentyl)-N-methylnitrous amide 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 N-(4-hydroxy-4-pyridin-3-ylpentyl)-N-methylnitrous amide is 127171-58-8.
The molecular formula of N-(4-hydroxy-4-pyridin-3-ylpentyl)-N-methylnitrous amide is C11H17N3O2.
The molecular weight of N-(4-hydroxy-4-pyridin-3-ylpentyl)-N-methylnitrous amide is 223.13208 g/mol.
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