6-methyl-2-oxo-N-[2-(pyridin-3-yloxy)propyl]-1,2-dihydropyridine-4-carboxamide

• ChemBase ID: 816920
• Molecular Formular: C15H17N3O3
• Molecular Mass: 287.31378
• Monoisotopic Mass: 287.12699142
• SMILES: c1(cc(=O)[nH]c(c1)C)C(=O)NCC(Oc1cnccc1)C
• Canonical SMILES: CC(Oc1cccnc1)CNC(=O)c1cc(C)[nH]c(=O)c1
• InChI: InChI=1S/C15H17N3O3/c1-10-6-12(7-14(19)18-10)15(20)17-8-11(2)21-13-4-3-5-16-9-13/h3-7,9,11H,8H2,1-2H3,(H,17,20)(H,18,19)
• InChIKey: PRSHTSLKOPTXEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-oxo-N-[2-(pyridin-3-yloxy)propyl]-1,2-dihydropyridine-4-carboxamide
• IUPAC Traditional name: 2-methyl-6-oxo-N-[2-(pyridin-3-yloxy)propyl]-1H-pyridine-4-carboxamide
• Synonyms: 6-methyl-2-oxo-N-[2-(pyridin-3-yloxy)propyl]-1,2-dihydropyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.966986
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.15414959
• LogD (pH = 7.4): -0.087371364
• Log P: -0.08632586
• Molar Refractivity: 79.3966 cm^3
• Polarizability: 29.74956 Å^3
• Polar Surface Area: 80.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.03
• LOG S: -2.63
• Polar Surface Area: 84.08 Å^2
• Rotatable Bonds: 5