N-(1-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide

C21H18F3N3O — CID 109156235

IUPACN-(1-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)nc1)c1ccccc1
InChIInChI=1S/C21H18F3N3O/c1-14(15-5-3-2-4-6-15)26-20(28)16-7-12-19(25-13-16)27-18-10-8-17(9-11-18)21(22,23)24/h2-14H,1H3,(H,25,27)(H,26,28)
InChIKeyAHMYBJCEFIOWQP-UHFFFAOYSA-N
MW385.39 g/mol
LogP5.34
Rot. Bonds5

About N-(1-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide

N-(1-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 109156235) has the molecular formula C21H18F3N3O and a molecular weight of 385.39 g/mol. Its IUPAC name is N-(1-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID109156235
Molecular FormulaC21H18F3N3O
Molecular Weight385.39 g/mol
Exact Mass385.14
IUPAC NameN-(1-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)nc1)c1ccccc1
InChIInChI=1S/C21H18F3N3O/c1-14(15-5-3-2-4-6-15)26-20(28)16-7-12-19(25-13-16)27-18-10-8-17(9-11-18)21(22,23)24/h2-14H,1H3,(H,25,27)(H,26,28)
InChIKeyAHMYBJCEFIOWQP-UHFFFAOYSA-N
XLogP5.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.39
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109156245
N-methyl-N-phenyl-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162369
N-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162294
6-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109151952
6-(ethylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 62165290
6-(2,4-difluoroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156252
6-(2-ethoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156225
1-[(1S)-1-phenylethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 52592652
5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 43414636
N-[6-(4-acetylanilino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113020429
6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 42936491
5-(4-fluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280827

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-(1-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 109156235) is N-(1-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide is CC(NC(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)nc1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is AHMYBJCEFIOWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O/c1-14(15-5-3-2-4-6-15)26-20(28)16-7-12-19(25-13-16)27-18-10-8-17(9-11-18)21(22,23)24/h2-14H,1H3,(H,25,27)(H,26,28).
What are the key properties of N-(1-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-(1-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 109156235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).