N-methyl-2-(morpholin-4-yl)-N-[2-(1H-pyrazol-1-yl)ethyl]-2-(pyridin-3-yl)acetamide

• ChemBase ID: 781959
• Molecular Formular: C17H23N5O2
• Molecular Mass: 329.39682
• Monoisotopic Mass: 329.185175
• SMILES: C(=O)(C(N1CCOCC1)c1cnccc1)N(CCn1nccc1)C
• Canonical SMILES: O=C(C(c1cccnc1)N1CCOCC1)N(CCn1cccn1)C
• InChI: InChI=1S/C17H23N5O2/c1-20(8-9-22-7-3-6-19-22)17(23)16(15-4-2-5-18-14-15)21-10-12-24-13-11-21/h2-7,14,16H,8-13H2,1H3
• InChIKey: VDQOCNIRCHWHOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(morpholin-4-yl)-N-[2-(1H-pyrazol-1-yl)ethyl]-2-(pyridin-3-yl)acetamide
• IUPAC Traditional name: N-methyl-2-(morpholin-4-yl)-N-[2-(pyrazol-1-yl)ethyl]-2-(pyridin-3-yl)acetamide
• Synonyms: N-methyl-2-morpholin-4-yl-N-[2-(1H-pyrazol-1-yl)ethyl]-2-pyridin-3-ylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.114802435
• LogD (pH = 7.4): 0.036105845
• Log P: 0.03839975
• Molar Refractivity: 101.9562 cm^3
• Polarizability: 35.10949 Å^3
• Polar Surface Area: 63.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.41
• LOG S: -1.26
• Polar Surface Area: 63.49 Å^2
• Rotatable Bonds: 6