2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-(2-methylpropyl)amino]acetamide

C12H17F3N4O — CID 106747549

IUPAC2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)c1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C12H17F3N4O/c1-7(2)5-19(6-11(17)20)9-3-10(12(13,14)15)18-4-8(9)16/h3-4,7H,5-6,16H2,1-2H3,(H2,17,20)
InChIKeyQTEFCASVFUWGPJ-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.63
Rot. Bonds5

About 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-(2-methylpropyl)amino]acetamide

2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-(2-methylpropyl)amino]acetamide (PubChem CID 106747549) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-(2-methylpropyl)amino]acetamide
PubChem CID106747549
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)c1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C12H17F3N4O/c1-7(2)5-19(6-11(17)20)9-3-10(12(13,14)15)18-4-8(9)16/h3-4,7H,5-6,16H2,1-2H3,(H2,17,20)
InChIKeyQTEFCASVFUWGPJ-UHFFFAOYSA-N
XLogP1.63
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747555
4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747535
2-[2-amino-N-(2-methylpropyl)-5-(methylsulfamoyl)anilino]acetamide
CID 82899371
2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-propylamino]ethanol
CID 106747408
3-amino-4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzoic acid
CID 55003908
2-[2-amino-4-fluoro-5-methoxy-N-(2-methylpropyl)anilino]acetamide
CID 63599950
2-[2-amino-4-fluoro-N-(2-methylpropyl)-5-propoxyanilino]acetamide
CID 63591734
2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-(2-methylpropyl)amino]acetamide
CID 102720618
2-[(2-amino-5-fluoropyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 80820404
2-[(3-amino-5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetamide
CID 103468035
2-[6-amino-2,3-difluoro-N-(2-methylpropyl)anilino]acetamide
CID 62533871
2-[3-amino-5-fluoro-N-(2-methylpropyl)anilino]acetamide
CID 55002568

Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-(2-methylpropyl)amino]acetamide (CID 106747549) is 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)c1cc(C(F)(F)F)ncc1N.
What is the InChIKey of 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-(2-methylpropyl)amino]acetamide?
The InChIKey is QTEFCASVFUWGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-7(2)5-19(6-11(17)20)9-3-10(12(13,14)15)18-4-8(9)16/h3-4,7H,5-6,16H2,1-2H3,(H2,17,20).
What are the key properties of 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-(2-methylpropyl)amino]acetamide?
2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-(2-methylpropyl)amino]acetamide has a molecular weight of 290.29 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 106747549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).