N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-3-(1,2-oxazinan-2-yl)propanamide

• ChemBase ID: 664022
• Molecular Formular: C16H22N4O2
• Molecular Mass: 302.37148
• Monoisotopic Mass: 302.17427596
• SMILES: c12n(c(cn1)CNC(=O)CCN1OCCCC1)cccc2C
• Canonical SMILES: O=C(NCc1cnc2n1cccc2C)CCN1CCCCO1
• InChI: InChI=1S/C16H22N4O2/c1-13-5-4-8-20-14(12-18-16(13)20)11-17-15(21)6-9-19-7-2-3-10-22-19/h4-5,8,12H,2-3,6-7,9-11H2,1H3,(H,17,21)
• InChIKey: LFDIBZHYAFNUMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-3-(1,2-oxazinan-2-yl)propanamide
• IUPAC Traditional name: N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-3-(1,2-oxazinan-2-yl)propanamide
• Synonyms: N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-(1,2-oxazinan-2-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.466228
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.4786397
• LogD (pH = 7.4): 0.2408664
• Log P: 0.2849607
• Molar Refractivity: 85.3939 cm^3
• Polarizability: 32.483566 Å^3
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.66
• LOG S: -2.82
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 5