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

C19H14F3N3O — CID 109241729

IUPACN-(2-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cncc(Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C19H14F3N3O/c1-11-4-2-3-5-15(11)25-19(26)12-8-13(10-23-9-12)24-16-7-6-14(20)17(21)18(16)22/h2-10,24H,1H3,(H,25,26)
InChIKeyVFHBZFHFALFPOY-UHFFFAOYSA-N
MW357.34 g/mol
LogP4.80
Rot. Bonds4

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

N-(2-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide (PubChem CID 109241729) has the molecular formula C19H14F3N3O and a molecular weight of 357.34 g/mol. Its IUPAC name is N-(2-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
PubChem CID109241729
Molecular FormulaC19H14F3N3O
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC NameN-(2-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cncc(Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C19H14F3N3O/c1-11-4-2-3-5-15(11)25-19(26)12-8-13(10-23-9-12)24-16-7-6-14(20)17(21)18(16)22/h2-10,24H,1H3,(H,25,26)
InChIKeyVFHBZFHFALFPOY-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-(2-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109241821
N-(2,4-difluorophenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109246256
5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241651
5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109242185
5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109243282
4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049340
N-(2-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109241688
N-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241817
5-[(2-fluorophenyl)methylamino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109233450
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241732
N-(3,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109242899
N-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109241657

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide (CID 109241729) is N-(2-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide is Cc1ccccc1NC(=O)c1cncc(Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of N-(2-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide?
The InChIKey is VFHBZFHFALFPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O/c1-11-4-2-3-5-15(11)25-19(26)12-8-13(10-23-9-12)24-16-7-6-14(20)17(21)18(16)22/h2-10,24H,1H3,(H,25,26).
What are the key properties of N-(2-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide?
N-(2-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-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-(2-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109241729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).