3-{imidazo[1,2-a]pyridin-2-yl}-N-[2-(pyridin-3-ylformamido)ethyl]propanamide

• ChemBase ID: 759823
• Molecular Formular: C18H19N5O2
• Molecular Mass: 337.37576
• Monoisotopic Mass: 337.15387487
• SMILES: n12c(nc(c1)CCC(=O)NCCNC(=O)c1cnccc1)cccc2
• Canonical SMILES: O=C(CCc1nc2n(c1)cccc2)NCCNC(=O)c1cccnc1
• InChI: InChI=1S/C18H19N5O2/c24-17(7-6-15-13-23-11-2-1-5-16(23)22-15)20-9-10-21-18(25)14-4-3-8-19-12-14/h1-5,8,11-13H,6-7,9-10H2,(H,20,24)(H,21,25)
• InChIKey: YJSKSAHSKADLDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-[2-(pyridin-3-ylformamido)ethyl]propanamide
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-[2-(pyridin-3-ylformamido)ethyl]propanamide
• Synonyms: N-{2-[(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)amino]ethyl}nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.809655
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.9535996
• LogD (pH = 7.4): -0.2365563
• Log P: -0.20911941
• Molar Refractivity: 94.0473 cm^3
• Polarizability: 35.24544 Å^3
• Polar Surface Area: 88.39 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.3
• LOG S: -3.23
• Polar Surface Area: 88.39 Å^2
• Rotatable Bonds: 7