N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 687914
• Molecular Formular: C21H24FN3O2
• Molecular Mass: 369.4325632
• Monoisotopic Mass: 369.18525524
• SMILES: c1(c(=O)n(c(cc1C)C)C)C(=O)NCc1c2[nH]c(c(c2cc(c1)F)C)CC
• Canonical SMILES: CCc1[nH]c2c(c1C)cc(cc2CNC(=O)c1c(C)cc(n(c1=O)C)C)F
• InChI: InChI=1S/C21H24FN3O2/c1-6-17-13(4)16-9-15(22)8-14(19(16)24-17)10-23-20(26)18-11(2)7-12(3)25(5)21(18)27/h7-9,24H,6,10H2,1-5H3,(H,23,26)
• InChIKey: HFTSLZQZBUJHCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
• Synonyms: N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.720258
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.8913906
• LogD (pH = 7.4): 2.8913906
• Log P: 2.8913906
• Molar Refractivity: 106.4667 cm^3
• Polarizability: 40.163197 Å^3
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.25
• LOG S: -4.67
• Polar Surface Area: 66.89 Å^2
• Rotatable Bonds: 4