N-(2-phenylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide

C21H18F3N3O — CID 109235856

IUPACN-(2-phenylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cncc(Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C21H18F3N3O/c22-21(23,24)18-8-4-5-9-19(18)27-17-12-16(13-25-14-17)20(28)26-11-10-15-6-2-1-3-7-15/h1-9,12-14,27H,10-11H2,(H,26,28)
InChIKeyQTCLCRGVZZJNMY-UHFFFAOYSA-N
MW385.39 g/mol
LogP4.82
Rot. Bonds6

About N-(2-phenylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide

N-(2-phenylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 109235856) has the molecular formula C21H18F3N3O and a molecular weight of 385.39 g/mol. Its IUPAC name is N-(2-phenylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID109235856
Molecular FormulaC21H18F3N3O
Molecular Weight385.39 g/mol
Exact Mass385.14
IUPAC NameN-(2-phenylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cncc(Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C21H18F3N3O/c22-21(23,24)18-8-4-5-9-19(18)27-17-12-16(13-25-14-17)20(28)26-11-10-15-6-2-1-3-7-15/h1-9,12-14,27H,10-11H2,(H,26,28)
InChIKeyQTCLCRGVZZJNMY-UHFFFAOYSA-N
XLogP4.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109233370
N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109227465
N-(2-methylpropyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109224865
5-(2,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235876
5-(2-fluoroanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109239035
N-(2-morpholin-4-ylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109229551
5-(4-bromoanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235844
5-(propan-2-ylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223495
N-(4-acetylphenyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109245712
5-N-(2-fluorophenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106222
N-butyl-N-methyl-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109240301
5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223099

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-(2-phenylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 109235856) is N-(2-phenylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide is O=C(NCCc1ccccc1)c1cncc(Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-(2-phenylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is QTCLCRGVZZJNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O/c22-21(23,24)18-8-4-5-9-19(18)27-17-12-16(13-25-14-17)20(28)26-11-10-15-6-2-1-3-7-15/h1-9,12-14,27H,10-11H2,(H,26,28).
What are the key properties of N-(2-phenylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-(2-phenylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 109235856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).