N-(1-methyl-1H-pyrazol-3-yl)-2-{3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}acetamide

• ChemBase ID: 654736
• Molecular Formular: C13H13N5O3
• Molecular Mass: 287.27402
• Monoisotopic Mass: 287.1018393
• SMILES: N1(c2c(OCC1=O)cccn2)CC(=O)Nc1nn(cc1)C
• Canonical SMILES: O=C(CN1C(=O)COc2c1nccc2)Nc1ccn(n1)C
• InChI: InChI=1S/C13H13N5O3/c1-17-6-4-10(16-17)15-11(19)7-18-12(20)8-21-9-3-2-5-14-13(9)18/h2-6H,7-8H2,1H3,(H,15,16,19)
• InChIKey: FONDPBLBBKKTRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-methyl-1H-pyrazol-3-yl)-2-{3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}acetamide
• IUPAC Traditional name: N-(1-methylpyrazol-3-yl)-2-{3-oxo-2H-pyrido[3,2-b][1,4]oxazin-4-yl}acetamide
• Synonyms: N-(1-methyl-1H-pyrazol-3-yl)-2-(3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.287478
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.07020798
• LogD (pH = 7.4): -0.069989555
• Log P: -0.069932096
• Molar Refractivity: 85.6764 cm^3
• Polarizability: 27.415169 Å^3
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.64
• LOG S: -2.06
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 3