N-({2-[(6-methylpyridin-3-yl)oxy]pyridin-3-yl}methyl)-2-(2-oxopyrrolidin-1-yl)propanamide

• ChemBase ID: 376373
• Molecular Formular: C19H22N4O3
• Molecular Mass: 354.40298
• Monoisotopic Mass: 354.16919058
• SMILES: N1(C(=O)CCC1)C(C(=O)NCc1c(Oc2cnc(cc2)C)nccc1)C
• Canonical SMILES: O=C(C(N1CCCC1=O)C)NCc1cccnc1Oc1ccc(nc1)C
• InChI: InChI=1S/C19H22N4O3/c1-13-7-8-16(12-21-13)26-19-15(5-3-9-20-19)11-22-18(25)14(2)23-10-4-6-17(23)24/h3,5,7-9,12,14H,4,6,10-11H2,1-2H3,(H,22,25)
• InChIKey: YHFUCCXFHADCSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({2-[(6-methylpyridin-3-yl)oxy]pyridin-3-yl}methyl)-2-(2-oxopyrrolidin-1-yl)propanamide
• IUPAC Traditional name: N-({2-[(6-methylpyridin-3-yl)oxy]pyridin-3-yl}methyl)-2-(2-oxopyrrolidin-1-yl)propanamide
• Synonyms: N-({2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl}methyl)-2-(2-oxo-1-pyrrolidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.548967
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.485806
• LogD (pH = 7.4): 0.62074083
• Log P: 0.62279093
• Molar Refractivity: 95.8966 cm^3
• Polarizability: 37.06453 Å^3
• Polar Surface Area: 84.42 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.88
• LOG S: -3.04
• Polar Surface Area: 84.42 Å^2
• Rotatable Bonds: 6