N-cyclobutyl-5-[4-(pyridin-3-yloxy)piperidine-1-carbonyl]pyridin-2-amine

• ChemBase ID: 489995
• Molecular Formular: C20H24N4O2
• Molecular Mass: 352.43016
• Monoisotopic Mass: 352.18992603
• SMILES: C(=O)(N1CCC(CC1)Oc1cnccc1)c1cnc(NC2CCC2)cc1
• Canonical SMILES: O=C(c1ccc(nc1)NC1CCC1)N1CCC(CC1)Oc1cccnc1
• InChI: InChI=1S/C20H24N4O2/c25-20(15-6-7-19(22-13-15)23-16-3-1-4-16)24-11-8-17(9-12-24)26-18-5-2-10-21-14-18/h2,5-7,10,13-14,16-17H,1,3-4,8-9,11-12H2,(H,22,23)
• InChIKey: DCNPRTYECINYGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutyl-5-[4-(pyridin-3-yloxy)piperidine-1-carbonyl]pyridin-2-amine
• IUPAC Traditional name: N-cyclobutyl-5-[4-(pyridin-3-yloxy)piperidine-1-carbonyl]pyridin-2-amine
• Synonyms: N-cyclobutyl-5-{[4-(3-pyridinyloxy)-1-piperidinyl]carbonyl}-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.276973
• LogD (pH = 7.4): 1.4627665
• Log P: 1.4654734
• Molar Refractivity: 100.9197 cm^3
• Polarizability: 37.897133 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.91
• LOG S: -4.87
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 5