1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea

1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea bmse011191 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C14H21N3O

Natural Isotopic Abundance Mass: 247.33603999999977

Mono-Isotopic Molecular Masses:

  • C12N14: 247.168462307
  • C13N14: 261.21543003900024
  • C12N15: 250.15956698600002
  • C13N15: 264.20653471800034

InChI string: InChI=1S/C14H21N3O/c18-14(17-13-4-2-1-3-5-13)16-11-8-12-6-9-15-10-7-12/h6-7,9-10,13H,1-5,8,11H2,(H2,16,17,18)

wwPDB CCD: AWP

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)