N-cyclopropyl-2-{8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl}pyridine-4-carboxamide

• ChemBase ID: 533476
• Molecular Formular: C21H28N4O2
• Molecular Mass: 368.47262
• Monoisotopic Mass: 368.22122616
• SMILES: N1(C(=O)CCC2(C1)CN(c1cc(C(=O)NC3CC3)ccn1)CCC2)C1CC1
• Canonical SMILES: O=C(c1ccnc(c1)N1CCCC2(C1)CCC(=O)N(C2)C1CC1)NC1CC1
• InChI: InChI=1S/C21H28N4O2/c26-19-6-9-21(14-25(19)17-4-5-17)8-1-11-24(13-21)18-12-15(7-10-22-18)20(27)23-16-2-3-16/h7,10,12,16-17H,1-6,8-9,11,13-14H2,(H,23,27)
• InChIKey: RNYYQHBXCASYCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-{8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl}pyridine-4-carboxamide
• IUPAC Traditional name: N-cyclopropyl-2-{8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl}pyridine-4-carboxamide
• Synonyms: N-cyclopropyl-2-(8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undec-2-yl)isonicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.412325
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4440382
• LogD (pH = 7.4): 1.5031587
• Log P: 1.503971
• Molar Refractivity: 104.0488 cm^3
• Polarizability: 39.333878 Å^3
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -1.0
• LOG S: -2.34
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 4