N-methyl-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-pyridine-3-carboxamide

C15H12F3N3O3 — CID 17434871

IUPACN-methyl-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-pyridine-3-carboxamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H12F3N3O3/c1-21(15(24)8-2-5-11(22)19-6-8)7-12(23)20-10-4-3-9(16)13(17)14(10)18/h2-6H,7H2,1H3,(H,19,22)(H,20,23)
InChIKeyJEKXTALFXYIFIM-UHFFFAOYSA-N
MW339.27 g/mol
LogP1.50
Rot. Bonds4

About N-methyl-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-pyridine-3-carboxamide

N-methyl-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-pyridine-3-carboxamide (PubChem CID 17434871) has the molecular formula C15H12F3N3O3 and a molecular weight of 339.27 g/mol. Its IUPAC name is N-methyl-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-pyridine-3-carboxamide
PubChem CID17434871
Molecular FormulaC15H12F3N3O3
Molecular Weight339.27 g/mol
Exact Mass339.08
IUPAC NameN-methyl-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-pyridine-3-carboxamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H12F3N3O3/c1-21(15(24)8-2-5-11(22)19-6-8)7-12(23)20-10-4-3-9(16)13(17)14(10)18/h2-6H,7H2,1H3,(H,19,22)(H,20,23)
InChIKeyJEKXTALFXYIFIM-UHFFFAOYSA-N
XLogP1.50
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 51.50
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-pyridine-3-carboxamide?
The IUPAC name of N-methyl-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-pyridine-3-carboxamide (CID 17434871) is N-methyl-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for N-methyl-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-pyridine-3-carboxamide is CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-methyl-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-pyridine-3-carboxamide?
The InChIKey is JEKXTALFXYIFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O3/c1-21(15(24)8-2-5-11(22)19-6-8)7-12(23)20-10-4-3-9(16)13(17)14(10)18/h2-6H,7H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-methyl-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-pyridine-3-carboxamide?
N-methyl-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-pyridine-3-carboxamide has a molecular weight of 339.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 17434871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).