5-(N-ethylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C21H18F3N3O — CID 109198553

IUPAC5-(N-ethylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCCN(c1ccccc1)c1ccc(C(=O)Nc2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C21H18F3N3O/c1-2-27(15-8-4-3-5-9-15)16-12-13-19(25-14-16)20(28)26-18-11-7-6-10-17(18)21(22,23)24/h3-14H,2H2,1H3,(H,26,28)
InChIKeyTZFSOXHMNWHLAF-UHFFFAOYSA-N
MW385.39 g/mol
LogP5.51
Rot. Bonds5

About 5-(N-ethylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide

5-(N-ethylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 109198553) has the molecular formula C21H18F3N3O and a molecular weight of 385.39 g/mol. Its IUPAC name is 5-(N-ethylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(N-ethylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID109198553
Molecular FormulaC21H18F3N3O
Molecular Weight385.39 g/mol
Exact Mass385.14
IUPAC Name5-(N-ethylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCCN(c1ccccc1)c1ccc(C(=O)Nc2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C21H18F3N3O/c1-2-27(15-8-4-3-5-9-15)16-12-13-19(25-14-16)20(28)26-18-11-7-6-10-17(18)21(22,23)24/h3-14H,2H2,1H3,(H,26,28)
InChIKeyTZFSOXHMNWHLAF-UHFFFAOYSA-N
XLogP5.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.39
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109197685
N-(2-tert-butylphenyl)-5-(N-ethylanilino)pyrazine-2-carboxamide
CID 109291780
5-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81319297
5-(N-ethylanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194856
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-2-carboxamide
CID 109194819
5-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 104642157
1-ethyl-1-phenyl-3-[2-(trifluoromethyl)phenyl]urea
CID 108887668
5-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109200277
5-(N-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192755
2-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 110691495
5-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109279902
1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42161810

Frequently Asked Questions

What is the IUPAC name of 5-(N-ethylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-(N-ethylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 109198553) is 5-(N-ethylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(N-ethylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(N-ethylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide is CCN(c1ccccc1)c1ccc(C(=O)Nc2ccccc2C(F)(F)F)nc1.
What is the InChIKey of 5-(N-ethylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is TZFSOXHMNWHLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O/c1-2-27(15-8-4-3-5-9-15)16-12-13-19(25-14-16)20(28)26-18-11-7-6-10-17(18)21(22,23)24/h3-14H,2H2,1H3,(H,26,28).
What are the key properties of 5-(N-ethylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
5-(N-ethylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-ethylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109198553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).