9-(6-aminopyridine-3-carbonyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 317857
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: N1(C(=O)CCC2(C1)CCN(C(=O)c1cnc(cc1)N)CC2)C1CC1
• Canonical SMILES: O=C1CCC2(CN1C1CC1)CCN(CC2)C(=O)c1ccc(nc1)N
• InChI: InChI=1S/C18H24N4O2/c19-15-4-1-13(11-20-15)17(24)21-9-7-18(8-10-21)6-5-16(23)22(12-18)14-2-3-14/h1,4,11,14H,2-3,5-10,12H2,(H2,19,20)
• InChIKey: ATEIBYCXWFKFRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(6-aminopyridine-3-carbonyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 9-(6-aminopyridine-3-carbonyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 9-[(6-aminopyridin-3-yl)carbonyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.01568322
• LogD (pH = 7.4): 0.16626203
• Log P: 0.16920526
• Molar Refractivity: 92.1601 cm^3
• Polarizability: 34.54618 Å^3
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.25
• LOG S: -3.12
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 2