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

• ChemBase ID: 617719
• Molecular Formular: C20H24N4O3
• Molecular Mass: 368.42956
• Monoisotopic Mass: 368.18484065
• SMILES: C(=O)(N1CCC(CC1)Oc1cnccc1)c1cnc(NC2CCOC2)cc1
• Canonical SMILES: O=C(c1ccc(nc1)NC1COCC1)N1CCC(CC1)Oc1cccnc1
• InChI: InChI=1S/C20H24N4O3/c25-20(15-3-4-19(22-12-15)23-16-7-11-26-14-16)24-9-5-17(6-10-24)27-18-2-1-8-21-13-18/h1-4,8,12-13,16-17H,5-7,9-11,14H2,(H,22,23)
• InChIKey: XVUTZHXAMFRDHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(oxolan-3-yl)-5-[4-(pyridin-3-yloxy)piperidine-1-carbonyl]pyridin-2-amine
• IUPAC Traditional name: N-(oxolan-3-yl)-5-[4-(pyridin-3-yloxy)piperidine-1-carbonyl]pyridin-2-amine
• Synonyms: 5-{[4-(pyridin-3-yloxy)piperidin-1-yl]carbonyl}-N-(tetrahydrofuran-3-yl)pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Donor: 1
• LogD (pH = 5.5): 0.2735973
• LogD (pH = 7.4): 0.45395243
• Log P: 0.4565666
• Molar Refractivity: 102.7176 cm^3
• Polarizability: 38.606358 Å^3
• Polar Surface Area: 76.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 18.267708
• H Acceptors: 6

供应商提供(Chembridge)

• H Donor: 1
• Log P: 0.67
• LOG S: -2.46
• Polar Surface Area: 76.58 Å^2
• Rotatable Bonds: 5
• H Acceptors: 5