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

C20H16F3N3O — CID 109241871

IUPACN-(3-methylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cncc(Nc3cccc(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C20H16F3N3O/c1-13-4-2-6-16(8-13)26-19(27)14-9-18(12-24-11-14)25-17-7-3-5-15(10-17)20(21,22)23/h2-12,25H,1H3,(H,26,27)
InChIKeyVSLBLYUZOCWLAL-UHFFFAOYSA-N
MW371.36 g/mol
LogP5.40
Rot. Bonds4

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

N-(3-methylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 109241871) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is N-(3-methylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID109241871
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC NameN-(3-methylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cncc(Nc3cccc(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C20H16F3N3O/c1-13-4-2-6-16(8-13)26-19(27)14-9-18(12-24-11-14)25-17-7-3-5-15(10-17)20(21,22)23/h2-12,25H,1H3,(H,26,27)
InChIKeyVSLBLYUZOCWLAL-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-(4-acetylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109245736
N-tert-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109239319
N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162234
5-(propylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223100
5-(3,5-dichloroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241902
5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241874
5-(2-bromoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241887
N-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109224479
N-(3-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109241841
5-(4-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241837
5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241831
N-(3,5-dimethylphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109266873

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-(3-methylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 109241871) is N-(3-methylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is Cc1cccc(NC(=O)c2cncc(Nc3cccc(C(F)(F)F)c3)c2)c1.
What is the InChIKey of N-(3-methylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is VSLBLYUZOCWLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c1-13-4-2-6-16(8-13)26-19(27)14-9-18(12-24-11-14)25-17-7-3-5-15(10-17)20(21,22)23/h2-12,25H,1H3,(H,26,27).
What are the key properties of N-(3-methylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-(3-methylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-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-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 109241871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).