3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)-N-(1,2-oxazol-3-ylmethyl)propanamide

• ChemBase ID: 442875
• Molecular Formular: C13H15N3O3
• Molecular Mass: 261.2765
• Monoisotopic Mass: 261.11134136
• SMILES: n1(c(=O)cccc1C)CCC(=O)NCc1nocc1
• Canonical SMILES: O=C(CCn1c(C)cccc1=O)NCc1ccon1
• InChI: InChI=1S/C13H15N3O3/c1-10-3-2-4-13(18)16(10)7-5-12(17)14-9-11-6-8-19-15-11/h2-4,6,8H,5,7,9H2,1H3,(H,14,17)
• InChIKey: IDMJVDURPVSLBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)-N-(1,2-oxazol-3-ylmethyl)propanamide
• IUPAC Traditional name: 3-(2-methyl-6-oxopyridin-1-yl)-N-(1,2-oxazol-3-ylmethyl)propanamide
• Synonyms: N-(isoxazol-3-ylmethyl)-3-(6-methyl-2-oxopyridin-1(2H)-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.642144
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.25516957
• LogD (pH = 7.4): -0.25516963
• Log P: -0.25516942
• Molar Refractivity: 71.7964 cm^3
• Polarizability: 25.98554 Å^3
• Polar Surface Area: 75.44 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: -0.91
• LOG S: -1.64
• Polar Surface Area: 77.13 Å^2
• Rotatable Bonds: 5