TL;DR: 4,6-dimethyl-2-oxo-1-{[1-(2-thienyl)ethylidene]amino}-1,2-dihydro-3-pyridinecarbonitrile (CAS 1679336-98-1) is a chemical compound with molecular formula C14H13N3OS and molecular weight 271.07794 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,6-dimethyl-2-oxo-1-[(E)-1-thiophen-2-ylethylideneamino]pyridine-3-carbonitrile
Also Known As: 4,6-dimethyl-2-oxo-1-{[1-(2-thienyl)ethylidene]amino}-1,2-dihydro-3-pyridinecarbonitrile, AN-329/15538024, 1,2-Dihydro-4,6-dimethyl-2-oxo-1-[(E)-[1-(2-thienyl)ethylidene]amino]-3-pyridinecarbonitrile, 4,6-dimethyl-2-oxo-1-[(E)-1-thiophen-2-ylethylideneamino]pyridine-3-carbonitrile, 4,6-DIMETHYL-2-OXO-1-[(E)-[1-(THIOPHEN-2-YL)ETHYLIDENE]AMINO]-1,2-DIHYDROPYRIDINE-3-CARBONITRILE
| Molecular Formula | C14H13N3OS |
| Molecular Weight | 271.07794 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.07794 Da |
| Heavy Atoms | 19 |
| Complexity | 550.0 |
| SMILES | CC1=CC(=C(C(=O)N1/N=C(\C)/C2=CC=CS2)C#N)C |
| InChIKey | DVBIPPBYZQJRNM-LFIBNONCSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-dimethyl-2-oxo-1-{[1-(2-thienyl)ethylidene]amino}-1,2-dihydro-3-pyridinecarbonitrile. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-dimethyl-2-oxo-1-{[1-(2-thienyl)ethylidene]amino}-1,2-dihydro-3-pyridinecarbonitrile. Following Lipinski's Rule of Five, 4,6-dimethyl-2-oxo-1-{[1-(2-thienyl)ethylidene]amino}-1,2-dihydro-3-pyridinecarbonitrile 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-oxo-1-{[1-(2-thienyl)ethylidene]amino}-1,2-dihydro-3-pyridinecarbonitrile is 1679336-98-1.
The molecular formula of 4,6-dimethyl-2-oxo-1-{[1-(2-thienyl)ethylidene]amino}-1,2-dihydro-3-pyridinecarbonitrile is C14H13N3OS.
The molecular weight of 4,6-dimethyl-2-oxo-1-{[1-(2-thienyl)ethylidene]amino}-1,2-dihydro-3-pyridinecarbonitrile is 271.07794 g/mol.
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