2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbohydrazide

• ChemBase ID: 230513
• Molecular Formular: C15H19N5O2
• Molecular Mass: 301.34366
• Monoisotopic Mass: 301.15387487
• SMILES: C1(=C(NC(=C(C1c1ccccc1)C(=O)NN)C)C)C(=O)NN
• Canonical SMILES: NNC(=O)C1=C(C)NC(=C(C1c1ccccc1)C(=O)NN)C
• InChI: InChI=1S/C15H19N5O2/c1-8-11(14(21)19-16)13(10-6-4-3-5-7-10)12(9(2)18-8)15(22)20-17/h3-7,13,18H,16-17H2,1-2H3,(H,19,21)(H,20,22)
• InChIKey: FCSKJKYQYBWSHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbohydrazide
• IUPAC Traditional name: 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbohydrazide
• Synonyms: 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbohydrazide

Database IDs

• MDL Number: MFCD02725372
• PubChem SID: 164286423
• PubChem CID: 3395312

CALCULATED PROPERTIES

• Acid pKa: 12.567714
• H Acceptors: 5
• H Donor: 5
• LogD (pH = 5.5): -1.0951742
• LogD (pH = 7.4): -1.089852
• Log P: -1.0897813
• Molar Refractivity: 87.9144 cm^3
• Polarizability: 32.10092 Å^3
• Polar Surface Area: 122.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.721

Product Information

• Purity: 95%