2-cyclohexyl-N-pyridin-3-ylacetamide

2-cyclohexyl-N-pyridin-3-ylacetamide bmse011312 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C13H18N2O

Natural Isotopic Abundance Mass: 218.29481999999982

Mono-Isotopic Molecular Masses:

  • C12N14: 218.141913206
  • C13N14: 231.18552610000006
  • C12N15: 220.135982992
  • C13N15: 233.17959588600007

InChI string: InChI=1S/C13H18N2O/c16-13(9-11-5-2-1-3-6-11)15-12-7-4-8-14-10-12/h4,7-8,10-11H,1-3,5-6,9H2,(H,15,16)

wwPDB CCD: GWS

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)