N-cyclopropyl-2-[2-(3-methylbut-2-en-1-yl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyridine-4-carboxamide

• ChemBase ID: 462376
• Molecular Formular: C22H30N4O2
• Molecular Mass: 382.4992
• Monoisotopic Mass: 382.23687622
• SMILES: N1(C(=O)CC2(C1)CCN(c1cc(C(=O)NC3CC3)ccn1)CC2)CC=C(C)C
• Canonical SMILES: CC(=CCN1CC2(CC1=O)CCN(CC2)c1nccc(c1)C(=O)NC1CC1)C
• InChI: InChI=1S/C22H30N4O2/c1-16(2)6-10-26-15-22(14-20(26)27)7-11-25(12-8-22)19-13-17(5-9-23-19)21(28)24-18-3-4-18/h5-6,9,13,18H,3-4,7-8,10-12,14-15H2,1-2H3,(H,24,28)
• InChIKey: PNMAZBBATFFURL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-[2-(3-methylbut-2-en-1-yl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyridine-4-carboxamide
• IUPAC Traditional name: N-cyclopropyl-2-[2-(3-methylbut-2-en-1-yl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyridine-4-carboxamide
• Synonyms: N-cyclopropyl-2-[2-(3-methyl-2-buten-1-yl)-3-oxo-2,8-diazaspiro[4.5]dec-8-yl]isonicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.412938
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7385327
• LogD (pH = 7.4): 1.7983538
• Log P: 1.7991765
• Molar Refractivity: 111.5088 cm^3
• Polarizability: 41.65227 Å^3
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.11
• LOG S: -3.39
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 5