3-amino-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one

C9H11F3N2O — CID 164559844

IUPAC3-amino-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCC(C)n1cc(C(F)(F)F)cc(N)c1=O
InChIInChI=1S/C9H11F3N2O/c1-5(2)14-4-6(9(10,11)12)3-7(13)8(14)15/h3-5H,13H2,1-2H3
InChIKeyOFGPMEOLMWUWRG-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.03
Rot. Bonds1

About 3-amino-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one

3-amino-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 164559844) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 3-amino-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
PubChem CID164559844
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name3-amino-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCC(C)n1cc(C(F)(F)F)cc(N)c1=O
InChIInChI=1S/C9H11F3N2O/c1-5(2)14-4-6(9(10,11)12)3-7(13)8(14)15/h3-5H,13H2,1-2H3
InChIKeyOFGPMEOLMWUWRG-UHFFFAOYSA-N
XLogP2.03
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 2315787
N-(2-Oxo-5-(trifluoromethyl)-1,2-dihydropyridin-3-yl)acetamide
CID 47137243
3-Amino-1-ethyl-6-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 39871946
3-Amino-1-methyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 84008554
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-propan-2-ylacetamide
CID 7633456
2-[acetyl(methyl)amino]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 47249058
2,2,2-trifluoro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 132019890
1-(2-Aminoethyl)-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 63279488
2-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 72046371
3-Amino-1-ethyl-5-(trifluoromethyl)pyridin-2-one
CID 84008555
1-Propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 84314129
(E)-N-[2-[[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]amino]ethyl]-4,4,4-trifluorobut-2-enamide
CID 89722374

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-amino-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (CID 164559844) is 3-amino-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is CC(C)n1cc(C(F)(F)F)cc(N)c1=O.
What is the InChIKey of 3-amino-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is OFGPMEOLMWUWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-5(2)14-4-6(9(10,11)12)3-7(13)8(14)15/h3-5H,13H2,1-2H3.
What are the key properties of 3-amino-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
3-amino-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 220.19 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 164559844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).