5-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}pyridin-2-amine

• ChemBase ID: 526163
• Molecular Formular: C17H23N5O2
• Molecular Mass: 329.39682
• Monoisotopic Mass: 329.185175
• SMILES: c1(C2CN(C(=O)c3cnc(cc3)N)CCC2)n(ccn1)CCOC
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)C(=O)c1ccc(nc1)N
• InChI: InChI=1S/C17H23N5O2/c1-24-10-9-21-8-6-19-16(21)14-3-2-7-22(12-14)17(23)13-4-5-15(18)20-11-13/h4-6,8,11,14H,2-3,7,9-10,12H2,1H3,(H2,18,20)
• InChIKey: FIOCHJKWXFWAGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}pyridin-2-amine
• IUPAC Traditional name: 5-{3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl}pyridin-2-amine
• Synonyms: 5-({3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-piperidinyl}carbonyl)-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.41742203
• LogD (pH = 7.4): 0.39523962
• Log P: 0.4260023
• Molar Refractivity: 92.7647 cm^3
• Polarizability: 34.449947 Å^3
• Polar Surface Area: 86.27 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: -0.12
• LOG S: -2.81
• Polar Surface Area: 86.27 Å^2
• Rotatable Bonds: 5