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

• ChemBase ID: 725803
• Molecular Formular: C12H19N3O
• Molecular Mass: 221.29876
• Monoisotopic Mass: 221.15281224
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)C(C)(C)C
• Canonical SMILES: O=C(C(C)(C)C)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C12H19N3O/c1-12(2,3)11(16)14-10-8-13-9-6-4-5-7-15(9)10/h8H,4-7H2,1-3H3,(H,14,16)
• InChIKey: YJRCSGXEJWIECX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.672311
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3208637
• LogD (pH = 7.4): 1.9693149
• Log P: 1.999626
• Molar Refractivity: 63.6652 cm^3
• Polarizability: 24.031612 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.5
• LOG S: -2.1
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 2