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

C20H16F3N3O — CID 109241688

IUPACN-(2-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cncc(Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C20H16F3N3O/c1-13-4-2-3-5-18(13)26-19(27)14-10-17(12-24-11-14)25-16-8-6-15(7-9-16)20(21,22)23/h2-12,25H,1H3,(H,26,27)
InChIKeyGZXQVXBONARZAF-UHFFFAOYSA-N
MW371.36 g/mol
LogP5.40
Rot. Bonds4

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

N-(2-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 109241688) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is N-(2-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID109241688
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC NameN-(2-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cncc(Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C20H16F3N3O/c1-13-4-2-3-5-18(13)26-19(27)14-10-17(12-24-11-14)25-16-8-6-15(7-9-16)20(21,22)23/h2-12,25H,1H3,(H,26,27)
InChIKeyGZXQVXBONARZAF-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-(2-chlorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109244388
N-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109241657
N-(4-acetylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109245760
5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241651
5-anilino-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109241546
N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242107
N-(2-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109241729
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241732
5-(2-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109241821
N-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109242670
N-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241817
N-tert-butyl-5-(2-methylanilino)pyridine-3-carboxamide
CID 109239269

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-(2-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 109241688) is N-(2-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide is Cc1ccccc1NC(=O)c1cncc(Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-(2-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is GZXQVXBONARZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c1-13-4-2-3-5-18(13)26-19(27)14-10-17(12-24-11-14)25-16-8-6-15(7-9-16)20(21,22)23/h2-12,25H,1H3,(H,26,27).
What are the key properties of N-(2-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-(2-methylphenyl)-5-[4-(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-(2-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 109241688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).