TL;DR: 4,6-Dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile (CAS 142591-26-2) is a chemical compound with molecular formula C12H15N3O and molecular weight 217.1215 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile
Also Known As: 4,6-dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile, Bionet2_001271, 4,6-dimethyl-2-morpholinonicotinonitrile, 4,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile, 4,6-dimethyl-2-(4-morpholinyl)nicotinonitrile
| Molecular Formula | C12H15N3O |
| Molecular Weight | 217.1215 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 49.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.1215 Da |
| Heavy Atoms | 16 |
| Complexity | 279.0 |
| SMILES | CC1=CC(=NC(=C1C#N)N2CCOCC2)C |
| InChIKey | LUTZBWBXBMVIOV-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile. With a topological polar surface area (TPSA) of 49.2 Ų, 4,6-Dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile has 0 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 4,6-Dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile is 142591-26-2.
The molecular formula of 4,6-Dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile is C12H15N3O.
The molecular weight of 4,6-Dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile is 217.1215 g/mol.
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