N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxamide

• ChemBase ID: 393686
• Molecular Formular: C18H21N3O2
• Molecular Mass: 311.37824
• Monoisotopic Mass: 311.16337693
• SMILES: c1(cc(=O)[nH]c(c1)CC)C(=O)NCCN1c2c(CC1)cccc2
• Canonical SMILES: CCc1cc(cc(=O)[nH]1)C(=O)NCCN1CCc2c1cccc2
• InChI: InChI=1S/C18H21N3O2/c1-2-15-11-14(12-17(22)20-15)18(23)19-8-10-21-9-7-13-5-3-4-6-16(13)21/h3-6,11-12H,2,7-10H2,1H3,(H,19,23)(H,20,22)
• InChIKey: DFSCUALWXIGOHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxamide
• IUPAC Traditional name: N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide
• Synonyms: N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.93805
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5355746
• LogD (pH = 7.4): 1.5426931
• Log P: 1.5428976
• Molar Refractivity: 92.9337 cm^3
• Polarizability: 33.96493 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.31
• LOG S: -2.59
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 5