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

• ChemBase ID: 721669
• Molecular Formular: C20H26N4O2
• Molecular Mass: 354.44604
• Monoisotopic Mass: 354.20557609
• SMILES: C(=O)(N1CCC(CC1)Oc1cnccc1)c1cnc(NCCCC)cc1
• Canonical SMILES: CCCCNc1ccc(cn1)C(=O)N1CCC(CC1)Oc1cccnc1
• InChI: InChI=1S/C20H26N4O2/c1-2-3-11-22-19-7-6-16(14-23-19)20(25)24-12-8-17(9-13-24)26-18-5-4-10-21-15-18/h4-7,10,14-15,17H,2-3,8-9,11-13H2,1H3,(H,22,23)
• InChIKey: USRXRXPSMLHMPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.6824157
• LogD (pH = 7.4): 1.8763902
• Log P: 1.8792393
• Molar Refractivity: 102.9811 cm^3
• Polarizability: 38.622585 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.58
• LOG S: -4.98
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 5