4-(4-bromo-2-fluoroanilino)-N-ethoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide

C16H17BrFN3O3 — CID 11395411

IUPAC4-(4-bromo-2-fluoroanilino)-N-ethoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
SMILESCCONC(=O)c1cn(C)c(=O)c(C)c1Nc1ccc(Br)cc1F
InChIInChI=1S/C16H17BrFN3O3/c1-4-24-20-15(22)11-8-21(3)16(23)9(2)14(11)19-13-6-5-10(17)7-12(13)18/h5-8,19H,4H2,1-3H3,(H,20,22)
InChIKeyIKVITEMYFVVJFY-UHFFFAOYSA-N
MW398.23 g/mol
LogP3.02
Rot. Bonds5

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

4-(4-bromo-2-fluoroanilino)-N-ethoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide (PubChem CID 11395411) has the molecular formula C16H17BrFN3O3 and a molecular weight of 398.23 g/mol. Its IUPAC name is 4-(4-bromo-2-fluoroanilino)-N-ethoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-(4-bromo-2-fluoroanilino)-N-ethoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
PubChem CID11395411
Molecular FormulaC16H17BrFN3O3
Molecular Weight398.23 g/mol
Exact Mass397.04
IUPAC Name4-(4-bromo-2-fluoroanilino)-N-ethoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
SMILESCCONC(=O)c1cn(C)c(=O)c(C)c1Nc1ccc(Br)cc1F
InChIInChI=1S/C16H17BrFN3O3/c1-4-24-20-15(22)11-8-21(3)16(23)9(2)14(11)19-13-6-5-10(17)7-12(13)18/h5-8,19H,4H2,1-3H3,(H,20,22)
InChIKeyIKVITEMYFVVJFY-UHFFFAOYSA-N
XLogP3.02
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.23
LogP ≤ 53.02
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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Related Compounds

4-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 11690375
4-(4-bromo-2-fluoroanilino)-3-fluoro-1,5-dimethylpyridin-2-one
CID 90144048
7-(4-bromo-2-fluoroanilino)-8-fluoro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 89353191
4-(4-bromo-2-fluoroanilino)-5-fluoro-6-oxo-N-propoxy-1H-pyridine-3-carboxamide
CID 87855012
4-(4-bromo-2-fluoroanilino)-1-(cyclopropylmethylsulfonyl)-5-methyl-6-oxopyridine-3-carboxamide
CID 69488552
4-(4-bromo-2-fluoroanilino)-1-methyl-6-oxopyridine-3-carboxylic acid
CID 11580925
4-(4-bromo-2-fluoroanilino)-5-fluoro-1-methyl-6-oxopyridine-3-carboxylic acid;N-[(2-methylpropan-2-yl)oxy]decan-1-amine
CID 161073694
4-[(4-bromo-2-fluorophenyl)methyl]-1,5-dimethyl-6-oxopyridine-3-carboxylic acid
CID 58259958
4-(4-bromo-2-fluoroanilino)-1,5-bis(methylsulfonyl)-6-oxopyridine-3-carboxamide
CID 69489340
N-[4-(4-bromo-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide
CID 71163488
7-(4-bromo-2-fluoroanilino)-N-(1-hydroxy-2-methylpropan-2-yl)oxy-8-methylimidazo[1,2-a]pyridine-6-carboxamide
CID 89353166
[4-(4-bromo-2-fluoroanilino)-5-fluoro-1-methyl-6-oxo-3-pyridinyl]-dioxidoazanium
CID 163661650

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluoroanilino)-N-ethoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 4-(4-bromo-2-fluoroanilino)-N-ethoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide (CID 11395411) is 4-(4-bromo-2-fluoroanilino)-N-ethoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-(4-bromo-2-fluoroanilino)-N-ethoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 4-(4-bromo-2-fluoroanilino)-N-ethoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide is CCONC(=O)c1cn(C)c(=O)c(C)c1Nc1ccc(Br)cc1F.
What is the InChIKey of 4-(4-bromo-2-fluoroanilino)-N-ethoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide?
The InChIKey is IKVITEMYFVVJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN3O3/c1-4-24-20-15(22)11-8-21(3)16(23)9(2)14(11)19-13-6-5-10(17)7-12(13)18/h5-8,19H,4H2,1-3H3,(H,20,22).
What are the key properties of 4-(4-bromo-2-fluoroanilino)-N-ethoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide?
4-(4-bromo-2-fluoroanilino)-N-ethoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide has a molecular weight of 398.23 g/mol, XLogP of 3.02, 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-1,5-dimethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 11395411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).