N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-propanamidopropanamide

• ChemBase ID: 709493
• Molecular Formular: C13H20N4O2
• Molecular Mass: 264.3235
• Monoisotopic Mass: 264.1586259
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)C(NC(=O)CC)C
• Canonical SMILES: CCC(=O)NC(C(=O)Nc1cnc2n1CCCC2)C
• InChI: InChI=1S/C13H20N4O2/c1-3-12(18)15-9(2)13(19)16-11-8-14-10-6-4-5-7-17(10)11/h8-9H,3-7H2,1-2H3,(H,15,18)(H,16,19)
• InChIKey: NKPPDICEQLTFBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-propanamidopropanamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-propanamidopropanamide
• Synonyms: N~2~-propionyl-N~1~-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)alaninamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 76.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 12.590799
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.30869824
• LogD (pH = 7.4): 0.3345543
• Log P: 0.36410645
• Molar Refractivity: 71.8871 cm^3
• Polarizability: 27.120113 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 76.02 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 2
• Log P: 0.03
• LOG S: -2.46