1-[2-(3,4-dimethylanilino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

C17H16F3N3O3 — CID 17444253

IUPAC1-[2-(3,4-dimethylanilino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)cc1C
InChIInChI=1S/C17H16F3N3O3/c1-9-3-4-11(7-10(9)2)22-14(24)8-23-13(17(18,19)20)6-5-12(15(21)25)16(23)26/h3-7H,8H2,1-2H3,(H2,21,25)(H,22,24)
InChIKeyFFLYLIWYQPSYTA-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.22
Rot. Bonds4

About 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

1-[2-(3,4-dimethylanilino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 17444253) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-dimethylanilino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID17444253
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name1-[2-(3,4-dimethylanilino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)cc1C
InChIInChI=1S/C17H16F3N3O3/c1-9-3-4-11(7-10(9)2)22-14(24)8-23-13(17(18,19)20)6-5-12(15(21)25)16(23)26/h3-7H,8H2,1-2H3,(H2,21,25)(H,22,24)
InChIKeyFFLYLIWYQPSYTA-UHFFFAOYSA-N
XLogP2.22
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 17472720
N-(3,4-dimethylphenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide
CID 53014423
ethyl 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate
CID 7748548
N-(3,4-dimethylphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
CID 22522524
(3S)-N-(3,4-dimethylphenyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 9070227
2-methyl-4-[[2-(2-phenylindol-1-yl)acetyl]amino]benzamide
CID 56518035
N-(3,4-dimethylphenyl)-2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 22424827
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
N-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride
CID 132965081
N-(3,4-dimethylphenyl)-2-(2,3-dioxo-4-phenylpyrazin-1-yl)acetamide
CID 7183401
3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide
CID 63334451
2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(3,4-dimethylphenyl)acetamide
CID 20893978

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (CID 17444253) is 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)cc1C.
What is the InChIKey of 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is FFLYLIWYQPSYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c1-9-3-4-11(7-10(9)2)22-14(24)8-23-13(17(18,19)20)6-5-12(15(21)25)16(23)26/h3-7H,8H2,1-2H3,(H2,21,25)(H,22,24).
What are the key properties of 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 367.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 17444253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).