N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-4-pentanamidobenzamide

• ChemBase ID: 781248
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: n12c(nc(c1)CNC(=O)c1ccc(NC(=O)CCCC)cc1)ccc(c2)C
• Canonical SMILES: CCCCC(=O)Nc1ccc(cc1)C(=O)NCc1cn2c(n1)ccc(c2)C
• InChI: InChI=1S/C21H24N4O2/c1-3-4-5-20(26)24-17-9-7-16(8-10-17)21(27)22-12-18-14-25-13-15(2)6-11-19(25)23-18/h6-11,13-14H,3-5,12H2,1-2H3,(H,22,27)(H,24,26)
• InChIKey: DHGBWMUMSFRZPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-4-pentanamidobenzamide
• IUPAC Traditional name: N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-4-pentanamidobenzamide
• Synonyms: N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(pentanoylamino)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.576793
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.2426193
• LogD (pH = 7.4): 2.953362
• Log P: 2.9806156
• Molar Refractivity: 107.735 cm^3
• Polarizability: 39.715897 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: 3.29
• LOG S: -4.67
• Polar Surface Area: 75.5 Å^2
• Rotatable Bonds: 7