4-[2-(dimethylamino)acetamido]-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}benzamide

• ChemBase ID: 577354
• Molecular Formular: C18H23N5O2
• Molecular Mass: 341.40752
• Monoisotopic Mass: 341.185175
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1ccc(NC(=O)CN(C)C)cc1
• Canonical SMILES: CN(CC(=O)Nc1ccc(cc1)C(=O)Nc1cnc2n1CCCC2)C
• InChI: InChI=1S/C18H23N5O2/c1-22(2)12-17(24)20-14-8-6-13(7-9-14)18(25)21-16-11-19-15-5-3-4-10-23(15)16/h6-9,11H,3-5,10,12H2,1-2H3,(H,20,24)(H,21,25)
• InChIKey: PFKOPLMMZVZCCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(dimethylamino)acetamido]-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}benzamide
• IUPAC Traditional name: 4-[2-(dimethylamino)acetamido]-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}benzamide
• Synonyms: 4-[(N,N-dimethylglycyl)amino]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.841827
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.1034862
• LogD (pH = 7.4): 0.97288555
• Log P: 1.1834729
• Molar Refractivity: 98.9253 cm^3
• Polarizability: 36.32961 Å^3
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.4
• LOG S: -2.03
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 5