2-({5-[4-(pyridin-3-yloxy)piperidine-1-carbonyl]pyridin-2-yl}amino)acetamide

• ChemBase ID: 409742
• Molecular Formular: C18H21N5O3
• Molecular Mass: 355.39104
• Monoisotopic Mass: 355.16443956
• SMILES: C(=O)(N1CCC(CC1)Oc1cnccc1)c1cnc(NCC(=O)N)cc1
• Canonical SMILES: NC(=O)CNc1ccc(cn1)C(=O)N1CCC(CC1)Oc1cccnc1
• InChI: InChI=1S/C18H21N5O3/c19-16(24)12-22-17-4-3-13(10-21-17)18(25)23-8-5-14(6-9-23)26-15-2-1-7-20-11-15/h1-4,7,10-11,14H,5-6,8-9,12H2,(H2,19,24)(H,21,22)
• InChIKey: FADRVKLHELJVJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({5-[4-(pyridin-3-yloxy)piperidine-1-carbonyl]pyridin-2-yl}amino)acetamide
• IUPAC Traditional name: 2-({5-[4-(pyridin-3-yloxy)piperidine-1-carbonyl]pyridin-2-yl}amino)acetamide
• Synonyms: N~2~-(5-{[4-(pyridin-3-yloxy)piperidin-1-yl]carbonyl}pyridin-2-yl)glycinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.020466
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.94915396
• LogD (pH = 7.4): -0.7761105
• Log P: -0.77361906
• Molar Refractivity: 97.0143 cm^3
• Polarizability: 36.19249 Å^3
• Polar Surface Area: 110.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.15
• LOG S: -3.23
• Polar Surface Area: 110.44 Å^2
• Rotatable Bonds: 6