2-(4-bromo-2-fluoroanilino)-5-ethyl-N-(2-hydroxyethoxy)-1-methyl-6-oxo-2,3-dihydropyridine-3-carboxamide

C17H21BrFN3O4 — CID 152808195

IUPAC2-(4-bromo-2-fluoroanilino)-5-ethyl-N-(2-hydroxyethoxy)-1-methyl-6-oxo-2,3-dihydropyridine-3-carboxamide
SMILESCCC1=CC(C(=O)NOCCO)C(Nc2ccc(Br)cc2F)N(C)C1=O
InChIInChI=1S/C17H21BrFN3O4/c1-3-10-8-12(16(24)21-26-7-6-23)15(22(2)17(10)25)20-14-5-4-11(18)9-13(14)19/h4-5,8-9,12,15,20,23H,3,6-7H2,1-2H3,(H,21,24)
InChIKeySPXLPAFZWXJAKD-UHFFFAOYSA-N
MW430.27 g/mol
LogP1.79
Rot. Bonds7

About 2-(4-bromo-2-fluoroanilino)-5-ethyl-N-(2-hydroxyethoxy)-1-methyl-6-oxo-2,3-dihydropyridine-3-carboxamide

2-(4-bromo-2-fluoroanilino)-5-ethyl-N-(2-hydroxyethoxy)-1-methyl-6-oxo-2,3-dihydropyridine-3-carboxamide (PubChem CID 152808195) has the molecular formula C17H21BrFN3O4 and a molecular weight of 430.27 g/mol. Its IUPAC name is 2-(4-bromo-2-fluoroanilino)-5-ethyl-N-(2-hydroxyethoxy)-1-methyl-6-oxo-2,3-dihydropyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluoroanilino)-5-ethyl-N-(2-hydroxyethoxy)-1-methyl-6-oxo-2,3-dihydropyridine-3-carboxamide
PubChem CID152808195
Molecular FormulaC17H21BrFN3O4
Molecular Weight430.27 g/mol
Exact Mass429.07
IUPAC Name2-(4-bromo-2-fluoroanilino)-5-ethyl-N-(2-hydroxyethoxy)-1-methyl-6-oxo-2,3-dihydropyridine-3-carboxamide
SMILESCCC1=CC(C(=O)NOCCO)C(Nc2ccc(Br)cc2F)N(C)C1=O
InChIInChI=1S/C17H21BrFN3O4/c1-3-10-8-12(16(24)21-26-7-6-23)15(22(2)17(10)25)20-14-5-4-11(18)9-13(14)19/h4-5,8-9,12,15,20,23H,3,6-7H2,1-2H3,(H,21,24)
InChIKeySPXLPAFZWXJAKD-UHFFFAOYSA-N
XLogP1.79
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.27
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-bromo-2-fluoroanilino)-5-ethyl-N-(2-hydroxyethoxy)-1-methyl-6-oxo-2,3-dihydropyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-2,3-dihydropyridine-3-carboxamide
CID 154553691
2-[(4-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 58368273
5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 143438987
6-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)-3,3-dimethyl-1-oxo-2H-isoindole-5-carboxamide
CID 88942623
6-(4-bromo-2-chloroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methyl-1,2-dihydrobenzimidazole-5-carboxamide
CID 88995192
3-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
CID 25013474
N-(4-bromo-2-fluorophenyl)-2-(propylamino)acetamide
CID 60648489
4-bromo-N-(2-hydroxyethoxy)-2-methylbenzamide
CID 165437737
2-(4-bromo-2-fluoroanilino)-5-(dimethylamino)-3-fluoro-N-(2-hydroxyethoxy)-4-(methylideneamino)benzamide
CID 155220776
4-(4-bromo-2-fluoroanilino)-5-fluoro-6-oxo-N-propoxy-1H-pyridine-3-carboxamide
CID 87855012
CID 89010523
CID 89010523
4-(4-bromo-2-fluoroanilino)-N-ethoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 11395411

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluoroanilino)-5-ethyl-N-(2-hydroxyethoxy)-1-methyl-6-oxo-2,3-dihydropyridine-3-carboxamide?
The IUPAC name of 2-(4-bromo-2-fluoroanilino)-5-ethyl-N-(2-hydroxyethoxy)-1-methyl-6-oxo-2,3-dihydropyridine-3-carboxamide (CID 152808195) is 2-(4-bromo-2-fluoroanilino)-5-ethyl-N-(2-hydroxyethoxy)-1-methyl-6-oxo-2,3-dihydropyridine-3-carboxamide.
What is the SMILES notation for 2-(4-bromo-2-fluoroanilino)-5-ethyl-N-(2-hydroxyethoxy)-1-methyl-6-oxo-2,3-dihydropyridine-3-carboxamide?
The canonical SMILES for 2-(4-bromo-2-fluoroanilino)-5-ethyl-N-(2-hydroxyethoxy)-1-methyl-6-oxo-2,3-dihydropyridine-3-carboxamide is CCC1=CC(C(=O)NOCCO)C(Nc2ccc(Br)cc2F)N(C)C1=O.
What is the InChIKey of 2-(4-bromo-2-fluoroanilino)-5-ethyl-N-(2-hydroxyethoxy)-1-methyl-6-oxo-2,3-dihydropyridine-3-carboxamide?
The InChIKey is SPXLPAFZWXJAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrFN3O4/c1-3-10-8-12(16(24)21-26-7-6-23)15(22(2)17(10)25)20-14-5-4-11(18)9-13(14)19/h4-5,8-9,12,15,20,23H,3,6-7H2,1-2H3,(H,21,24).
What are the key properties of 2-(4-bromo-2-fluoroanilino)-5-ethyl-N-(2-hydroxyethoxy)-1-methyl-6-oxo-2,3-dihydropyridine-3-carboxamide?
2-(4-bromo-2-fluoroanilino)-5-ethyl-N-(2-hydroxyethoxy)-1-methyl-6-oxo-2,3-dihydropyridine-3-carboxamide has a molecular weight of 430.27 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluoroanilino)-5-ethyl-N-(2-hydroxyethoxy)-1-methyl-6-oxo-2,3-dihydropyridine-3-carboxamide is sourced from PubChem (CID 152808195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).