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

C14H12BrF2N3O3 — CID 11165133

IUPAC4-(4-bromo-2-fluoroanilino)-5-fluoro-N-methoxy-1-methyl-6-oxopyridine-3-carboxamide
SMILESCONC(=O)c1cn(C)c(=O)c(F)c1Nc1ccc(Br)cc1F
InChIInChI=1S/C14H12BrF2N3O3/c1-20-6-8(13(21)19-23-2)12(11(17)14(20)22)18-10-4-3-7(15)5-9(10)16/h3-6,18H,1-2H3,(H,19,21)
InChIKeyAROVPXKNYNWWMA-UHFFFAOYSA-N
MW388.17 g/mol
LogP2.46
Rot. Bonds4

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

4-(4-bromo-2-fluoroanilino)-5-fluoro-N-methoxy-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 11165133) has the molecular formula C14H12BrF2N3O3 and a molecular weight of 388.17 g/mol. Its IUPAC name is 4-(4-bromo-2-fluoroanilino)-5-fluoro-N-methoxy-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-(4-bromo-2-fluoroanilino)-5-fluoro-N-methoxy-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID11165133
Molecular FormulaC14H12BrF2N3O3
Molecular Weight388.17 g/mol
Exact Mass387.00
IUPAC Name4-(4-bromo-2-fluoroanilino)-5-fluoro-N-methoxy-1-methyl-6-oxopyridine-3-carboxamide
SMILESCONC(=O)c1cn(C)c(=O)c(F)c1Nc1ccc(Br)cc1F
InChIInChI=1S/C14H12BrF2N3O3/c1-20-6-8(13(21)19-23-2)12(11(17)14(20)22)18-10-4-3-7(15)5-9(10)16/h3-6,18H,1-2H3,(H,19,21)
InChIKeyAROVPXKNYNWWMA-UHFFFAOYSA-N
XLogP2.46
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.17
LogP ≤ 52.46
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)-5-fluoro-N-methoxy-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 4-(4-bromo-2-fluoroanilino)-5-fluoro-N-methoxy-1-methyl-6-oxopyridine-3-carboxamide (CID 11165133) is 4-(4-bromo-2-fluoroanilino)-5-fluoro-N-methoxy-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-(4-bromo-2-fluoroanilino)-5-fluoro-N-methoxy-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 4-(4-bromo-2-fluoroanilino)-5-fluoro-N-methoxy-1-methyl-6-oxopyridine-3-carboxamide is CONC(=O)c1cn(C)c(=O)c(F)c1Nc1ccc(Br)cc1F.
What is the InChIKey of 4-(4-bromo-2-fluoroanilino)-5-fluoro-N-methoxy-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is AROVPXKNYNWWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N3O3/c1-20-6-8(13(21)19-23-2)12(11(17)14(20)22)18-10-4-3-7(15)5-9(10)16/h3-6,18H,1-2H3,(H,19,21).
What are the key properties of 4-(4-bromo-2-fluoroanilino)-5-fluoro-N-methoxy-1-methyl-6-oxopyridine-3-carboxamide?
4-(4-bromo-2-fluoroanilino)-5-fluoro-N-methoxy-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 388.17 g/mol, XLogP of 2.46, 4 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)-5-fluoro-N-methoxy-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 11165133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).