5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide

C19H14F3N3O — CID 109197557

IUPAC5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)Nc3ccc(F)c(F)c3F)nc2)cc1
InChIInChI=1S/C19H14F3N3O/c1-11-2-4-12(5-3-11)24-13-6-8-16(23-10-13)19(26)25-15-9-7-14(20)17(21)18(15)22/h2-10,24H,1H3,(H,25,26)
InChIKeyZVRCFSXJQPUSME-UHFFFAOYSA-N
MW357.34 g/mol
LogP4.80
Rot. Bonds4

About 5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide

5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide (PubChem CID 109197557) has the molecular formula C19H14F3N3O and a molecular weight of 357.34 g/mol. Its IUPAC name is 5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
PubChem CID109197557
Molecular FormulaC19H14F3N3O
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Name5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)Nc3ccc(F)c(F)c3F)nc2)cc1
InChIInChI=1S/C19H14F3N3O/c1-11-2-4-12(5-3-11)24-13-6-8-16(23-10-13)19(26)25-15-9-7-14(20)17(21)18(15)22/h2-10,24H,1H3,(H,25,26)
InChIKeyZVRCFSXJQPUSME-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

N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109197490
6-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109127073
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
5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109242185
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
5-(cyclohexylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109183232
4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 2110476
5-anilino-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109197061
N-(2,4-difluorophenyl)-5-(2,4-dimethylanilino)pyridine-2-carboxamide
CID 109198012
N-(2-fluoro-4-methylphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639628

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide (CID 109197557) is 5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide is Cc1ccc(Nc2ccc(C(=O)Nc3ccc(F)c(F)c3F)nc2)cc1.
What is the InChIKey of 5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The InChIKey is ZVRCFSXJQPUSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O/c1-11-2-4-12(5-3-11)24-13-6-8-16(23-10-13)19(26)25-15-9-7-14(20)17(21)18(15)22/h2-10,24H,1H3,(H,25,26).
What are the key properties of 5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)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 5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109197557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).