5-hydroxy-N-methyl-N-(2-phenoxyethyl)pyrazine-2-carboxamide

• ChemBase ID: 638218
• Molecular Formular: C14H15N3O3
• Molecular Mass: 273.2872
• Monoisotopic Mass: 273.11134136
• SMILES: C(=O)(c1ncc(nc1)O)N(CCOc1ccccc1)C
• Canonical SMILES: Oc1cnc(cn1)C(=O)N(CCOc1ccccc1)C
• InChI: InChI=1S/C14H15N3O3/c1-17(7-8-20-11-5-3-2-4-6-11)14(19)12-9-16-13(18)10-15-12/h2-6,9-10H,7-8H2,1H3,(H,16,18)
• InChIKey: XPHPDWFWPKHRRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-hydroxy-N-methyl-N-(2-phenoxyethyl)pyrazine-2-carboxamide
• IUPAC Traditional name: 5-hydroxy-N-methyl-N-(2-phenoxyethyl)pyrazine-2-carboxamide
• Synonyms: 5-hydroxy-N-methyl-N-(2-phenoxyethyl)-2-pyrazinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.697201
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.1566584
• LogD (pH = 7.4): 1.1545324
• Log P: 1.1566855
• Molar Refractivity: 73.0906 cm^3
• Polarizability: 27.813217 Å^3
• Polar Surface Area: 75.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.45
• LOG S: -2.46
• Polar Surface Area: 75.55 Å^2
• Rotatable Bonds: 5