4-(4-bromo-2-fluoroanilino)-N-ethoxy-5-fluoro-1-methyl-6-oxopyridine-3-carboxamide

C15H14BrF2N3O3 — CID 11281076

IUPAC4-(4-bromo-2-fluoroanilino)-N-ethoxy-5-fluoro-1-methyl-6-oxopyridine-3-carboxamide
SMILESCCONC(=O)c1cn(C)c(=O)c(F)c1Nc1ccc(Br)cc1F
InChIInChI=1S/C15H14BrF2N3O3/c1-3-24-20-14(22)9-7-21(2)15(23)12(18)13(9)19-11-5-4-8(16)6-10(11)17/h4-7,19H,3H2,1-2H3,(H,20,22)
InChIKeyGSLVKBRGRSHUAU-UHFFFAOYSA-N
MW402.20 g/mol
LogP2.85
Rot. Bonds5

About 4-(4-bromo-2-fluoroanilino)-N-ethoxy-5-fluoro-1-methyl-6-oxopyridine-3-carboxamide

4-(4-bromo-2-fluoroanilino)-N-ethoxy-5-fluoro-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 11281076) has the molecular formula C15H14BrF2N3O3 and a molecular weight of 402.20 g/mol. Its IUPAC name is 4-(4-bromo-2-fluoroanilino)-N-ethoxy-5-fluoro-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-(4-bromo-2-fluoroanilino)-N-ethoxy-5-fluoro-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID11281076
Molecular FormulaC15H14BrF2N3O3
Molecular Weight402.20 g/mol
Exact Mass401.02
IUPAC Name4-(4-bromo-2-fluoroanilino)-N-ethoxy-5-fluoro-1-methyl-6-oxopyridine-3-carboxamide
SMILESCCONC(=O)c1cn(C)c(=O)c(F)c1Nc1ccc(Br)cc1F
InChIInChI=1S/C15H14BrF2N3O3/c1-3-24-20-14(22)9-7-21(2)15(23)12(18)13(9)19-11-5-4-8(16)6-10(11)17/h4-7,19H,3H2,1-2H3,(H,20,22)
InChIKeyGSLVKBRGRSHUAU-UHFFFAOYSA-N
XLogP2.85
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.20
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-(4-bromo-2-fluoroanilino)-N-ethoxy-5-fluoro-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 4-(4-bromo-2-fluoroanilino)-N-ethoxy-5-fluoro-1-methyl-6-oxopyridine-3-carboxamide (CID 11281076) is 4-(4-bromo-2-fluoroanilino)-N-ethoxy-5-fluoro-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-(4-bromo-2-fluoroanilino)-N-ethoxy-5-fluoro-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 4-(4-bromo-2-fluoroanilino)-N-ethoxy-5-fluoro-1-methyl-6-oxopyridine-3-carboxamide is CCONC(=O)c1cn(C)c(=O)c(F)c1Nc1ccc(Br)cc1F.
What is the InChIKey of 4-(4-bromo-2-fluoroanilino)-N-ethoxy-5-fluoro-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is GSLVKBRGRSHUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N3O3/c1-3-24-20-14(22)9-7-21(2)15(23)12(18)13(9)19-11-5-4-8(16)6-10(11)17/h4-7,19H,3H2,1-2H3,(H,20,22).
What are the key properties of 4-(4-bromo-2-fluoroanilino)-N-ethoxy-5-fluoro-1-methyl-6-oxopyridine-3-carboxamide?
4-(4-bromo-2-fluoroanilino)-N-ethoxy-5-fluoro-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 402.20 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluoroanilino)-N-ethoxy-5-fluoro-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 11281076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).