N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-hydroxy-2-(pyridin-2-yl)pyrimidine-5-carboxamide

• ChemBase ID: 773888
• Molecular Formular: C15H14N6O3
• Molecular Mass: 326.31006
• Monoisotopic Mass: 326.11273834
• SMILES: n1c(c(C(=O)NCc2nnc(o2)CC)cnc1c1ncccc1)O
• Canonical SMILES: CCc1nnc(o1)CNC(=O)c1cnc(nc1O)c1ccccn1
• InChI: InChI=1S/C15H14N6O3/c1-2-11-20-21-12(24-11)8-18-14(22)9-7-17-13(19-15(9)23)10-5-3-4-6-16-10/h3-7H,2,8H2,1H3,(H,18,22)(H,17,19,23)
• InChIKey: RIRZBIBWKTYDQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-hydroxy-2-(pyridin-2-yl)pyrimidine-5-carboxamide
• IUPAC Traditional name: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-hydroxy-2-(pyridin-2-yl)pyrimidine-5-carboxamide
• Synonyms: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-hydroxy-2-pyridin-2-ylpyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.602971
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): 1.229217
• LogD (pH = 7.4): 1.2289889
• Log P: 1.2292529
• Molar Refractivity: 95.8068 cm^3
• Polarizability: 31.610785 Å^3
• Polar Surface Area: 126.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 2
• Log P: 0.44
• LOG S: -1.96
• Polar Surface Area: 126.92 Å^2
• Rotatable Bonds: 5