N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide

C19H14F3N3O — CID 109197490

IUPACN-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Nc3ccc(F)c(F)c3F)cn2)cc1
InChIInChI=1S/C19H14F3N3O/c1-11-2-4-12(5-3-11)25-19(26)16-8-6-13(10-23-16)24-15-9-7-14(20)17(21)18(15)22/h2-10,24H,1H3,(H,25,26)
InChIKeyKIATVWVZBRWTBL-UHFFFAOYSA-N
MW357.34 g/mol
LogP4.80
Rot. Bonds4

About N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide

N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide (PubChem CID 109197490) has the molecular formula C19H14F3N3O and a molecular weight of 357.34 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
PubChem CID109197490
Molecular FormulaC19H14F3N3O
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC NameN-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Nc3ccc(F)c(F)c3F)cn2)cc1
InChIInChI=1S/C19H14F3N3O/c1-11-2-4-12(5-3-11)25-19(26)16-8-6-13(10-23-16)24-15-9-7-14(20)17(21)18(15)22/h2-10,24H,1H3,(H,25,26)
InChIKeyKIATVWVZBRWTBL-UHFFFAOYSA-N
XLogP4.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109197557
N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109290106
N-(2,6-difluorophenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109200969
N-(4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109292530
6-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109127073
5-(2,5-dimethylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198055
5-(2,6-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109200966
N-(3-chloro-4-fluorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109197511
N-cycloheptyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109195345
5-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109198177
N,N-diethyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109194712
5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198992

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide?
The IUPAC name of N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide (CID 109197490) is N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2ccc(Nc3ccc(F)c(F)c3F)cn2)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide?
The InChIKey is KIATVWVZBRWTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O/c1-11-2-4-12(5-3-11)25-19(26)16-8-6-13(10-23-16)24-15-9-7-14(20)17(21)18(15)22/h2-10,24H,1H3,(H,25,26).
What are the key properties of N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide?
N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide has a molecular weight of 357.34 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109197490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).