2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(pyridin-3-ylformamido)ethyl]acetamide

• ChemBase ID: 399240
• Molecular Formular: C19H19FN4O2
• Molecular Mass: 354.3781632
• Monoisotopic Mass: 354.14920409
• SMILES: c1(c([nH]c2c1cc(cc2)F)C)CC(=O)NCCNC(=O)c1cnccc1
• Canonical SMILES: O=C(Cc1c(C)[nH]c2c1cc(F)cc2)NCCNC(=O)c1cccnc1
• InChI: InChI=1S/C19H19FN4O2/c1-12-15(16-9-14(20)4-5-17(16)24-12)10-18(25)22-7-8-23-19(26)13-3-2-6-21-11-13/h2-6,9,11,24H,7-8,10H2,1H3,(H,22,25)(H,23,26)
• InChIKey: GMHINPLELJAMEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(pyridin-3-ylformamido)ethyl]acetamide
• IUPAC Traditional name: 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(pyridin-3-ylformamido)ethyl]acetamide
• Synonyms: N-(2-{[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino}ethyl)nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.772446
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.1220162
• LogD (pH = 7.4): 1.1270528
• Log P: 1.1271176
• Molar Refractivity: 96.4443 cm^3
• Polarizability: 37.05426 Å^3
• Polar Surface Area: 86.88 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.15
• LOG S: -2.77
• Polar Surface Area: 86.88 Å^2
• Rotatable Bonds: 6