1,4-dimethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one

C9H11F3N2O — CID 166893282

IUPAC1,4-dimethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one
SMILESCc1ccn(C)c(=O)c1NCC(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-6-3-4-14(2)8(15)7(6)13-5-9(10,11)12/h3-4,13H,5H2,1-2H3
InChIKeyKFCSQRIDDYAAJW-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.67
Rot. Bonds2

About 1,4-dimethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one

1,4-dimethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one (PubChem CID 166893282) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1,4-dimethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one.

Molecular Properties

Compound Name1,4-dimethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one
PubChem CID166893282
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1,4-dimethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one
SMILESCc1ccn(C)c(=O)c1NCC(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-6-3-4-14(2)8(15)7(6)13-5-9(10,11)12/h3-4,13H,5H2,1-2H3
InChIKeyKFCSQRIDDYAAJW-UHFFFAOYSA-N
XLogP1.67
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Oxo-5-(trifluoromethyl)-1,2-dihydropyridin-3-yl)acetamide
CID 47137243
3-Amino-4-methylpyridin-2-ol
CID 18672168
3-Amino-1,4-dimethyl-1,2-dihydropyridin-2-one
CID 71755629
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-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 72046371
3-Amino-4-trifluoromethyl-2-pyridinone
CID 19065070
3-Amino-1-ethyl-5-(trifluoromethyl)pyridin-2-one
CID 84008555
N-methyl-2-oxo-2-[4-(trifluoromethyl)-2H-pyridin-1-yl]acetamide
CID 118697720
1-Ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
CID 118865132
1-Methyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
CID 118865145
4-Amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
CID 118865158

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one?
The IUPAC name of 1,4-dimethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one (CID 166893282) is 1,4-dimethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one.
What is the SMILES notation for 1,4-dimethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one?
The canonical SMILES for 1,4-dimethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one is Cc1ccn(C)c(=O)c1NCC(F)(F)F.
What is the InChIKey of 1,4-dimethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one?
The InChIKey is KFCSQRIDDYAAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-6-3-4-14(2)8(15)7(6)13-5-9(10,11)12/h3-4,13H,5H2,1-2H3.
What are the key properties of 1,4-dimethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one?
1,4-dimethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one has a molecular weight of 220.19 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one is sourced from PubChem (CID 166893282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).