1-(methoxymethyl)-N-[(5-methylpyrazin-2-yl)methyl]cyclobutane-1-carboxamide

• ChemBase ID: 358532
• Molecular Formular: C13H19N3O2
• Molecular Mass: 249.30886
• Monoisotopic Mass: 249.14772686
• SMILES: C1(C(=O)NCc2ncc(nc2)C)(COC)CCC1
• Canonical SMILES: COCC1(CCC1)C(=O)NCc1cnc(cn1)C
• InChI: InChI=1S/C13H19N3O2/c1-10-6-15-11(7-14-10)8-16-12(17)13(9-18-2)4-3-5-13/h6-7H,3-5,8-9H2,1-2H3,(H,16,17)
• InChIKey: XFVSBGXSUVNYDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methoxymethyl)-N-[(5-methylpyrazin-2-yl)methyl]cyclobutane-1-carboxamide
• IUPAC Traditional name: 1-(methoxymethyl)-N-[(5-methylpyrazin-2-yl)methyl]cyclobutane-1-carboxamide
• Synonyms: 1-(methoxymethyl)-N-[(5-methylpyrazin-2-yl)methyl]cyclobutanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.602719
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.16192259
• LogD (pH = 7.4): -0.16190784
• Log P: -0.1619074
• Molar Refractivity: 66.7578 cm^3
• Polarizability: 26.220125 Å^3
• Polar Surface Area: 64.11 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: 0.07
• LOG S: -2.39
• Polar Surface Area: 64.11 Å^2
• Rotatable Bonds: 5