N'-(3-ethylphenyl)-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)butanediamide

• ChemBase ID: 571634
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: n12c(nc(c1)CNC(=O)CCC(=O)Nc1cc(ccc1)CC)ccc(c2)C
• Canonical SMILES: CCc1cccc(c1)NC(=O)CCC(=O)NCc1cn2c(n1)ccc(c2)C
• InChI: InChI=1S/C21H24N4O2/c1-3-16-5-4-6-17(11-16)24-21(27)10-9-20(26)22-12-18-14-25-13-15(2)7-8-19(25)23-18/h4-8,11,13-14H,3,9-10,12H2,1-2H3,(H,22,26)(H,24,27)
• InChIKey: YXYNFHAWRGIHHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(3-ethylphenyl)-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)butanediamide
• IUPAC Traditional name: N'-(3-ethylphenyl)-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)succinamide
• Synonyms: N-(3-ethylphenyl)-N'-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]succinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.152726
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7780558
• LogD (pH = 7.4): 2.488945
• Log P: 2.5162125
• Molar Refractivity: 107.1854 cm^3
• Polarizability: 39.85761 Å^3
• Polar Surface Area: 75.5 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.99
• LOG S: -4.41
• Polar Surface Area: 75.5 Å^2
• Rotatable Bonds: 7