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

• ChemBase ID: 515257
• Molecular Formular: C19H29N5O2
• Molecular Mass: 359.46586
• Monoisotopic Mass: 359.23212519
• SMILES: N1(C(=O)CCC2(C1)CCN(C(C(=O)NC)C)CC2)Cc1ncc(nc1)C
• Canonical SMILES: CNC(=O)C(N1CCC2(CC1)CCC(=O)N(C2)Cc1cnc(cn1)C)C
• InChI: InChI=1S/C19H29N5O2/c1-14-10-22-16(11-21-14)12-24-13-19(5-4-17(24)25)6-8-23(9-7-19)15(2)18(26)20-3/h10-11,15H,4-9,12-13H2,1-3H3,(H,20,26)
• InChIKey: RJTDYDNYPIBYRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.639722
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.4006464
• LogD (pH = 7.4): -1.6397301
• Log P: -0.9598359
• Molar Refractivity: 98.8157 cm^3
• Polarizability: 38.57965 Å^3
• Polar Surface Area: 78.43 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: -0.14
• LOG S: -3.01
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 4