N-(3-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide

C20H16F3N3O — CID 109197325

IUPACN-(3-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(Nc3ccc(C(F)(F)F)cc3)cn2)c1
InChIInChI=1S/C20H16F3N3O/c1-13-3-2-4-16(11-13)26-19(27)18-10-9-17(12-24-18)25-15-7-5-14(6-8-15)20(21,22)23/h2-12,25H,1H3,(H,26,27)
InChIKeyUXYLAARJEJYCGV-UHFFFAOYSA-N
MW371.36 g/mol
LogP5.40
Rot. Bonds4

About N-(3-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide

N-(3-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide (PubChem CID 109197325) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is N-(3-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
PubChem CID109197325
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC NameN-(3-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(Nc3ccc(C(F)(F)F)cc3)cn2)c1
InChIInChI=1S/C20H16F3N3O/c1-13-3-2-4-16(11-13)26-19(27)18-10-9-17(12-24-18)25-15-7-5-14(6-8-15)20(21,22)23/h2-12,25H,1H3,(H,26,27)
InChIKeyUXYLAARJEJYCGV-UHFFFAOYSA-N
XLogP5.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.36
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-(3-methylanilino)pyridine-2-carboxamide
CID 109197376
5-(3-chloro-4-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109197308
N-(2,6-difluorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200327
5-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109200292
N-(5-methyl-1,2-oxazol-3-yl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200329
5-(3-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109197351
N-(3-chlorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109197509
N-propan-2-yl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109179578
5-(3,5-dimethylanilino)-N-phenylpyridine-2-carboxamide
CID 109196969
5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109197300
N-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115578171
5-anilino-N-(4-bromo-3-methylphenyl)pyridine-2-carboxamide
CID 109197124

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The IUPAC name of N-(3-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide (CID 109197325) is N-(3-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide is Cc1cccc(NC(=O)c2ccc(Nc3ccc(C(F)(F)F)cc3)cn2)c1.
What is the InChIKey of N-(3-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The InChIKey is UXYLAARJEJYCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c1-13-3-2-4-16(11-13)26-19(27)18-10-9-17(12-24-18)25-15-7-5-14(6-8-15)20(21,22)23/h2-12,25H,1H3,(H,26,27).
What are the key properties of N-(3-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide?
N-(3-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide has a molecular weight of 371.36 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide is sourced from PubChem (CID 109197325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).