2-{2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl}acetamide

• ChemBase ID: 831290
• Molecular Formular: C17H25N5O2
• Molecular Mass: 331.4127
• Monoisotopic Mass: 331.20082507
• SMILES: N1(C(=O)CCC2(C1)CCN(CC(=O)N)CC2)Cc1ncc(nc1)C
• Canonical SMILES: NC(=O)CN1CCC2(CC1)CCC(=O)N(C2)Cc1cnc(cn1)C
• InChI: InChI=1S/C17H25N5O2/c1-13-8-20-14(9-19-13)10-22-12-17(3-2-16(22)24)4-6-21(7-5-17)11-15(18)23/h8-9H,2-7,10-12H2,1H3,(H2,18,23)
• InChIKey: PKDYEYWMBMWDQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl}acetamide
• IUPAC Traditional name: 2-{2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl}acetamide
• Synonyms: 2-{2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undec-9-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.02428
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.7571774
• LogD (pH = 7.4): -2.11422
• Log P: -1.7522762
• Molar Refractivity: 89.4251 cm^3
• Polarizability: 34.90639 Å^3
• Polar Surface Area: 92.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.18
• LOG S: -1.92
• Polar Surface Area: 92.42 Å^2
• Rotatable Bonds: 4