Acetamide, N-(((1,1-dimethylpropyl)amino)(3-pyridinylamino)methylene)-2,2,2-trifluoro-
Basic information
- CAS
67026-79-3- Standard SMILES
CCC(C)(C)N=C(NC(=O)C(F)(F)F)Nc1cccnc1- InChIKey
FDOOCOKBXHBFCR-UHFFFAOYSA-N- Molecular formula
- C13H17F3N4O
- Average molar mass
- 302.3 g/mol
- Monoisotopic mass
- 302.13544566
Names & identifiers
- Preferred name
- Acetamide, N-(((1,1-dimethylpropyl)amino)(3-pyridinylamino)methylene)-2,2,2-trifluoro-
- IUPAC
- 2,2,2-trifluoro-N-[N'-(2-methylbutan-2-yl)-N-pyridin-3-ylcarbamimidoyl]acetamide
Names & synonyms
67026-79-3BRN 0430573Acetamide, N-(((1,1-dimethylpropyl)amino)(3-pyridinylamino)methylene)-2,2,2-trifluoro-DTXSID002172775-22-09-00035 (Beilstein Handbook Reference)N-((tert-Pentylamino)(3-pyridylamino)methylene)-2,2,2-trifluoroacetamideAcetamide, N-((tert-pentylamino)(3-pyridylamino)methylene)-2,2,2-trifluoro-N-(((1,1-Dimethylpropyl)amino)(3-pyridinylamino)methylene)-2,2,2-trifluoroacetamideNSC 315861RefChem:314826DTXCID00139768NSC315861
Show more names
CHEMBL3278382NSC-3158612,2,2-TRIFLUORO-N-[N'-(2-METHYLBUTAN-2-YL)-N-(PYRIDIN-3-YL)CARBAMIMIDOYL]ACETAMIDE
Database identifiers
- CAS
67026-79-3- PubChem CID
- 100536
- DTXSID
DTXSID00217277- ChEMBL
CHEMBL3278382
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 393
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Compound notes
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