N-{imidazo[1,2-a]pyridin-2-ylmethyl}-2-(morpholin-3-yl)acetamide

• ChemBase ID: 561359
• Molecular Formular: C14H18N4O2
• Molecular Mass: 274.31832
• Monoisotopic Mass: 274.14297584
• SMILES: n1c2n(cc1CNC(=O)CC1NCCOC1)cccc2
• Canonical SMILES: O=C(CC1NCCOC1)NCc1nc2n(c1)cccc2
• InChI: InChI=1S/C14H18N4O2/c19-14(7-11-10-20-6-4-15-11)16-8-12-9-18-5-2-1-3-13(18)17-12/h1-3,5,9,11,15H,4,6-8,10H2,(H,16,19)
• InChIKey: MDWFANDIKSJJFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{imidazo[1,2-a]pyridin-2-ylmethyl}-2-(morpholin-3-yl)acetamide
• IUPAC Traditional name: N-{imidazo[1,2-a]pyridin-2-ylmethyl}-2-(morpholin-3-yl)acetamide
• Synonyms: N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-morpholinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.31805
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.452439
• LogD (pH = 7.4): -1.2141036
• Log P: -0.62763375
• Molar Refractivity: 74.9098 cm^3
• Polarizability: 28.884638 Å^3
• Polar Surface Area: 67.66 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.23
• LOG S: -1.46
• Polar Surface Area: 67.66 Å^2
• Rotatable Bonds: 4