3,5-diethyl 2,6-dimethyl-4-(pyridin-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

• ChemBase ID: 179823
• Molecular Formular: C18H22N2O4
• Molecular Mass: 330.37828
• Monoisotopic Mass: 330.15795719
• SMILES: C1(=C(NC(=C(C1c1ncccc1)C(=O)OCC)C)C)C(=O)OCC
• Canonical SMILES: CCOC(=O)C1=C(C)NC(=C(C1c1ccccn1)C(=O)OCC)C
• InChI: InChI=1S/C18H22N2O4/c1-5-23-17(21)14-11(3)20-12(4)15(18(22)24-6-2)16(14)13-9-7-8-10-19-13/h7-10,16,20H,5-6H2,1-4H3
• InChIKey: RDWSCKBHQLBBSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-diethyl 2,6-dimethyl-4-(pyridin-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
• IUPAC Traditional name: 3,5-diethyl 2,6-dimethyl-4-(pyridin-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
• Synonyms: BAY-1518

Database IDs

• CAS Number: 23125-28-2
• PubChem SID: 164235733
• PubChem CID: 99955

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3636819
• LogD (pH = 7.4): 1.4993047
• Log P: 1.5013367
• Molar Refractivity: 91.7824 cm^3
• Polarizability: 34.836792 Å^3
• Polar Surface Area: 77.52 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Mechanism of Action: Calcium channel blocker

Product Information

• Application(s): Cardiant,; Vasodilator