N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

C20H16F3N3O — CID 109162234

IUPACN-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(Nc3cccc(C(F)(F)F)c3)nc2)c1
InChIInChI=1S/C20H16F3N3O/c1-13-4-2-6-16(10-13)26-19(27)14-8-9-18(24-12-14)25-17-7-3-5-15(11-17)20(21,22)23/h2-12H,1H3,(H,24,25)(H,26,27)
InChIKeyFGAAEOSVWANZFT-UHFFFAOYSA-N
MW371.36 g/mol
LogP5.40
Rot. Bonds4

About N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 109162234) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID109162234
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC NameN-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(Nc3cccc(C(F)(F)F)c3)nc2)c1
InChIInChI=1S/C20H16F3N3O/c1-13-4-2-6-16(10-13)26-19(27)14-8-9-18(24-12-14)25-17-7-3-5-15(11-17)20(21,22)23/h2-12H,1H3,(H,24,25)(H,26,27)
InChIKeyFGAAEOSVWANZFT-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

6-(3-acetamidoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109162236
N-(4-cyanophenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109164420
N-(3-methylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109241871
N-(3,5-dimethylphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109266873
6-hydrazinyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 51370235
N-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162294
N-(3-acetamidophenyl)-6-(3,5-dimethylanilino)pyridine-3-carboxamide
CID 109162684
6-(3-methylbutylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109161183
N-(pyridin-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109158163
2-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091236
6-fluoro-N-(3-methylphenyl)pyridine-3-carboxamide
CID 63972736
N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162266

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 109162234) is N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is Cc1cccc(NC(=O)c2ccc(Nc3cccc(C(F)(F)F)c3)nc2)c1.
What is the InChIKey of N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is FGAAEOSVWANZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c1-13-4-2-6-16(10-13)26-19(27)14-8-9-18(24-12-14)25-17-7-3-5-15(11-17)20(21,22)23/h2-12H,1H3,(H,24,25)(H,26,27).
What are the key properties of N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-(3-methylphenyl)-6-[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)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 109162234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).