N-ethyl-5-methoxy-N-[2-(5-methoxy-1H-1,3-benzodiazol-2-yl)ethyl]-4-oxo-1,4-dihydropyridine-2-carboxamide

• ChemBase ID: 685440
• Molecular Formular: C19H22N4O4
• Molecular Mass: 370.40238
• Monoisotopic Mass: 370.1641052
• SMILES: c1(cc(=O)c(c[nH]1)OC)C(=O)N(CCc1nc2c([nH]1)ccc(c2)OC)CC
• Canonical SMILES: COc1ccc2c(c1)nc([nH]2)CCN(C(=O)c1[nH]cc(c(=O)c1)OC)CC
• InChI: InChI=1S/C19H22N4O4/c1-4-23(19(25)15-10-16(24)17(27-3)11-20-15)8-7-18-21-13-6-5-12(26-2)9-14(13)22-18/h5-6,9-11H,4,7-8H2,1-3H3,(H,20,24)(H,21,22)
• InChIKey: BJAVSABDDUCVQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-5-methoxy-N-[2-(5-methoxy-1H-1,3-benzodiazol-2-yl)ethyl]-4-oxo-1,4-dihydropyridine-2-carboxamide
• IUPAC Traditional name: N-ethyl-5-methoxy-N-[2-(5-methoxy-1H-1,3-benzodiazol-2-yl)ethyl]-4-oxo-1H-pyridine-2-carboxamide
• Synonyms: N-ethyl-5-methoxy-N-[2-(5-methoxy-1H-benzimidazol-2-yl)ethyl]-4-oxo-1,4-dihydropyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.24809
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.47096348
• LogD (pH = 7.4): 0.9111857
• Log P: 0.9278379
• Molar Refractivity: 102.0172 cm^3
• Polarizability: 39.320255 Å^3
• Polar Surface Area: 96.55 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.46
• LOG S: -2.29
• Polar Surface Area: 100.31 Å^2
• Rotatable Bonds: 7