N-ethyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1H-pyridine-3-carboxamide

C17H16F3N3O3 — CID 18114448

IUPACN-ethyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1H-pyridine-3-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C17H16F3N3O3/c1-2-23(16(26)11-6-5-9-21-15(11)25)10-14(24)22-13-8-4-3-7-12(13)17(18,19)20/h3-9H,2,10H2,1H3,(H,21,25)(H,22,24)
InChIKeyAHPCTZLKMGMMLY-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.49
Rot. Bonds5

About N-ethyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1H-pyridine-3-carboxamide

N-ethyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1H-pyridine-3-carboxamide (PubChem CID 18114448) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is N-ethyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1H-pyridine-3-carboxamide
PubChem CID18114448
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC NameN-ethyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1H-pyridine-3-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C17H16F3N3O3/c1-2-23(16(26)11-6-5-9-21-15(11)25)10-14(24)22-13-8-4-3-7-12(13)17(18,19)20/h3-9H,2,10H2,1H3,(H,21,25)(H,22,24)
InChIKeyAHPCTZLKMGMMLY-UHFFFAOYSA-N
XLogP2.49
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-(trifluoromethyl)benzamide
CID 26356947
N-ethyl-2,5-difluoro-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 43018397
N-ethyl-2,4,5-trimethoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26357174
N,4-diethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 9095226
N-ethyl-1-methyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide
CID 55755141
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]thiophene-3-carboxamide
CID 18114443
methyl 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]benzoate
CID 26356542
N-ethyl-2-(4-fluorophenyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 26357064
3,4,5-triethoxy-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26356957
2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 55344407
N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide
CID 134059299

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1H-pyridine-3-carboxamide?
The IUPAC name of N-ethyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1H-pyridine-3-carboxamide (CID 18114448) is N-ethyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1H-pyridine-3-carboxamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc[nH]c1=O.
What is the InChIKey of N-ethyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1H-pyridine-3-carboxamide?
The InChIKey is AHPCTZLKMGMMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c1-2-23(16(26)11-6-5-9-21-15(11)25)10-14(24)22-13-8-4-3-7-12(13)17(18,19)20/h3-9H,2,10H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-ethyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1H-pyridine-3-carboxamide?
N-ethyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1H-pyridine-3-carboxamide has a molecular weight of 367.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 18114448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).