N-[3-(2,3-dihydro-1H-indol-1-yl)propyl]-2-oxo-6-phenyl-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 612027
• Molecular Formular: C23H23N3O2
• Molecular Mass: 373.44762
• Monoisotopic Mass: 373.17902699
• SMILES: c1(c(=O)[nH]c(cc1)c1ccccc1)C(=O)NCCCN1c2c(CC1)cccc2
• Canonical SMILES: O=C(c1ccc([nH]c1=O)c1ccccc1)NCCCN1CCc2c1cccc2
• InChI: InChI=1S/C23H23N3O2/c27-22(19-11-12-20(25-23(19)28)17-7-2-1-3-8-17)24-14-6-15-26-16-13-18-9-4-5-10-21(18)26/h1-5,7-12H,6,13-16H2,(H,24,27)(H,25,28)
• InChIKey: FQCWXKXCRMBUFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2,3-dihydro-1H-indol-1-yl)propyl]-2-oxo-6-phenyl-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-[3-(2,3-dihydroindol-1-yl)propyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
• Synonyms: N-[3-(2,3-dihydro-1H-indol-1-yl)propyl]-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.110144
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.270654
• LogD (pH = 7.4): 2.3268309
• Log P: 2.328356
• Molar Refractivity: 113.2142 cm^3
• Polarizability: 41.791397 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.72
• LOG S: -4.25
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 6