N-ethoxy-2-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide

C16H18FN3O3S — CID 59342478

IUPACN-ethoxy-2-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide
SMILESCCONC(=O)c1ccc(=O)n(C)c1Nc1ccc(SC)cc1F
InChIInChI=1S/C16H18FN3O3S/c1-4-23-19-16(22)11-6-8-14(21)20(2)15(11)18-13-7-5-10(24-3)9-12(13)17/h5-9,18H,4H2,1-3H3,(H,19,22)
InChIKeyHUMURLUXZYXJPQ-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.67
Rot. Bonds6

About N-ethoxy-2-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide

N-ethoxy-2-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 59342478) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is N-ethoxy-2-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethoxy-2-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID59342478
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC NameN-ethoxy-2-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide
SMILESCCONC(=O)c1ccc(=O)n(C)c1Nc1ccc(SC)cc1F
InChIInChI=1S/C16H18FN3O3S/c1-4-23-19-16(22)11-6-8-14(21)20(2)15(11)18-13-7-5-10(24-3)9-12(13)17/h5-9,18H,4H2,1-3H3,(H,19,22)
InChIKeyHUMURLUXZYXJPQ-UHFFFAOYSA-N
XLogP2.67
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-ethoxy-2-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide (CID 59342478) is N-ethoxy-2-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-ethoxy-2-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-ethoxy-2-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide is CCONC(=O)c1ccc(=O)n(C)c1Nc1ccc(SC)cc1F.
What is the InChIKey of N-ethoxy-2-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is HUMURLUXZYXJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-4-23-19-16(22)11-6-8-14(21)20(2)15(11)18-13-7-5-10(24-3)9-12(13)17/h5-9,18H,4H2,1-3H3,(H,19,22).
What are the key properties of N-ethoxy-2-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide?
N-ethoxy-2-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 351.40 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 59342478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).