6-chloro-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide

C17H15ClF3N3O2 — CID 26357037

IUPAC6-chloro-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C17H15ClF3N3O2/c1-2-24(16(26)11-7-8-14(18)22-9-11)10-15(25)23-13-6-4-3-5-12(13)17(19,20)21/h3-9H,2,10H2,1H3,(H,23,25)
InChIKeyLWNHLFUEEZBSFO-UHFFFAOYSA-N
MW385.77 g/mol
LogP3.85
Rot. Bonds5

About 6-chloro-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide

6-chloro-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide (PubChem CID 26357037) has the molecular formula C17H15ClF3N3O2 and a molecular weight of 385.77 g/mol. Its IUPAC name is 6-chloro-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide
PubChem CID26357037
Molecular FormulaC17H15ClF3N3O2
Molecular Weight385.77 g/mol
Exact Mass385.08
IUPAC Name6-chloro-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C17H15ClF3N3O2/c1-2-24(16(26)11-7-8-14(18)22-9-11)10-15(25)23-13-6-4-3-5-12(13)17(19,20)21/h3-9H,2,10H2,1H3,(H,23,25)
InChIKeyLWNHLFUEEZBSFO-UHFFFAOYSA-N
XLogP3.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.77
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N,4-diethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 9095226
6-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 61042399
methyl 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]benzoate
CID 26356542
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-(trifluoromethyl)benzamide
CID 26356947
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]thiophene-3-carboxamide
CID 18114443
1-(4-chlorophenyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrazole-4-carboxamide
CID 47046726
3,4,5-triethoxy-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26356957
4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26356858
4-(difluoromethoxy)-N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26356507
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
N-ethyl-5-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-phenylpyrazole-3-carboxamide
CID 55754631
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide
CID 9095217

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide (CID 26357037) is 6-chloro-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide?
The InChIKey is LWNHLFUEEZBSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O2/c1-2-24(16(26)11-7-8-14(18)22-9-11)10-15(25)23-13-6-4-3-5-12(13)17(19,20)21/h3-9H,2,10H2,1H3,(H,23,25).
What are the key properties of 6-chloro-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide?
6-chloro-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide has a molecular weight of 385.77 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 26357037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).