N,N-dimethyl-6-{3-oxa-9-azaspiro[5.5]undecan-9-yl}pyrazine-2-carboxamide

• ChemBase ID: 756794
• Molecular Formular: C16H24N4O2
• Molecular Mass: 304.38736
• Monoisotopic Mass: 304.18992603
• SMILES: c1(nc(N2CCC3(CC2)CCOCC3)cnc1)C(=O)N(C)C
• Canonical SMILES: CN(C(=O)c1cncc(n1)N1CCC2(CC1)CCOCC2)C
• InChI: InChI=1S/C16H24N4O2/c1-19(2)15(21)13-11-17-12-14(18-13)20-7-3-16(4-8-20)5-9-22-10-6-16/h11-12H,3-10H2,1-2H3
• InChIKey: IMRQXKVVDXSRIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-6-{3-oxa-9-azaspiro[5.5]undecan-9-yl}pyrazine-2-carboxamide
• IUPAC Traditional name: N,N-dimethyl-6-{3-oxa-9-azaspiro[5.5]undecan-9-yl}pyrazine-2-carboxamide
• Synonyms: N,N-dimethyl-6-(3-oxa-9-azaspiro[5.5]undec-9-yl)pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.5391603
• LogD (pH = 7.4): 0.5391611
• Log P: 0.53916115
• Molar Refractivity: 85.7011 cm^3
• Polarizability: 32.03247 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.32
• LOG S: -3.0
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 2