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Substance Name: Acetamide, N-(((1,1-dimethylpropyl)amino)(3-pyridinylamino)methylene)-2,2,2-trifluoro-
RN: 67026-79-3
InChIKey: FDOOCOKBXHBFCR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H17-F3-N4-O

Molecular Weight

  • 302.298
 
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Names and Synonyms

Synonyms

  • 5-22-09-00035 (Beilstein Handbook Reference)
  • Acetamide, N-((tert-pentylamino)(3-pyridylamino)methylene)-2,2,2-trifluoro-
  • BRN 0430573
  • N-(((1,1-Dimethylpropyl)amino)(3-pyridinylamino)methylene)-2,2,2-trifluoroacetamide
  • N-((tert-Pentylamino)(3-pyridylamino)methylene)-2,2,2-trifluoroacetamide

Systematic Name

  • Acetamide, N-(((1,1-dimethylpropyl)amino)(3-pyridinylamino)methylene)-2,2,2-trifluoro-

Registry Numbers

CAS Registry Number

  • 67026-79-3

System Generated Number

  • 0067026793

Structure Descriptors

InChI

1S/C13H17F3N4O/c1-4-12(2,3)20-11(19-10(21)13(14,15)16)18-9-6-5-7-17-8-9/h5-8H,4H2,1-3H3,(H2,18,19,20,21)

InChIKey

FDOOCOKBXHBFCR-UHFFFAOYSA-N

Smiles

C(\NC(C(F)(F)F)=O)(=N/c1cnccc1)NC(CC)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 773, 1978.