1-methyl-2-oxo-N,N-bis(pyridin-4-ylmethyl)-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 720443
• Molecular Formular: C19H18N4O2
• Molecular Mass: 334.37182
• Monoisotopic Mass: 334.14297584
• SMILES: c1(c(=O)n(ccc1)C)C(=O)N(Cc1ccncc1)Cc1ccncc1
• Canonical SMILES: O=C(c1cccn(c1=O)C)N(Cc1ccncc1)Cc1ccncc1
• InChI: InChI=1S/C19H18N4O2/c1-22-12-2-3-17(18(22)24)19(25)23(13-15-4-8-20-9-5-15)14-16-6-10-21-11-7-16/h2-12H,13-14H2,1H3
• InChIKey: WJKDKGUAIVXPFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-2-oxo-N,N-bis(pyridin-4-ylmethyl)-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: 1-methyl-2-oxo-N,N-bis(pyridin-4-ylmethyl)pyridine-3-carboxamide
• Synonyms: 1-methyl-2-oxo-N,N-bis(pyridin-4-ylmethyl)-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.2625973
• LogD (pH = 7.4): 0.47855297
• Log P: 0.48179194
• Molar Refractivity: 95.5433 cm^3
• Polarizability: 35.897728 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.69
• LOG S: -1.06
• Polar Surface Area: 68.09 Å^2
• Rotatable Bonds: 5