4-(4-bromo-2-fluoroanilino)-N-(1-cyclopropylethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide

C17H16BrF2N3O2 — CID 69488407

IUPAC4-(4-bromo-2-fluoroanilino)-N-(1-cyclopropylethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1c[nH]c(=O)c(F)c1Nc1ccc(Br)cc1F)C1CC1
InChIInChI=1S/C17H16BrF2N3O2/c1-8(9-2-3-9)22-16(24)11-7-21-17(25)14(20)15(11)23-13-5-4-10(18)6-12(13)19/h4-9H,2-3H2,1H3,(H,22,24)(H2,21,23,25)
InChIKeyFNMGXXQSXLRIPG-UHFFFAOYSA-N
MW412.23 g/mol
LogP3.69
Rot. Bonds5

About 4-(4-bromo-2-fluoroanilino)-N-(1-cyclopropylethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide

4-(4-bromo-2-fluoroanilino)-N-(1-cyclopropylethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 69488407) has the molecular formula C17H16BrF2N3O2 and a molecular weight of 412.23 g/mol. Its IUPAC name is 4-(4-bromo-2-fluoroanilino)-N-(1-cyclopropylethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(4-bromo-2-fluoroanilino)-N-(1-cyclopropylethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide
PubChem CID69488407
Molecular FormulaC17H16BrF2N3O2
Molecular Weight412.23 g/mol
Exact Mass411.04
IUPAC Name4-(4-bromo-2-fluoroanilino)-N-(1-cyclopropylethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1c[nH]c(=O)c(F)c1Nc1ccc(Br)cc1F)C1CC1
InChIInChI=1S/C17H16BrF2N3O2/c1-8(9-2-3-9)22-16(24)11-7-21-17(25)14(20)15(11)23-13-5-4-10(18)6-12(13)19/h4-9H,2-3H2,1H3,(H,22,24)(H2,21,23,25)
InChIKeyFNMGXXQSXLRIPG-UHFFFAOYSA-N
XLogP3.69
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.23
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(4-bromo-2-fluoroanilino)-N-(1-cyclopropylethyl)-5-fluoro-6-oxo-1H-pyridine-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

4-(4-bromo-2-fluoroanilino)-5-chloro-N-(1-cyclopropylethoxy)-6-oxo-1H-pyridine-3-carboxamide
CID 87855275
4-(4-bromo-2-fluoroanilino)-5-fluoro-6-oxo-N-propoxy-1H-pyridine-3-carboxamide
CID 87855012
5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 65306796
5-bromo-N-(1-cyclopropylethyl)-2-iodobenzamide
CID 47113790
4-(4-bromo-2-fluoroanilino)-5-(chloromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 90767040
N-(1-cyclopropylethyl)-2,3-difluorobenzamide
CID 62648544
3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide
CID 106544366
2,4-dibromo-N-(1-cyclobutylethyl)benzamide
CID 103883323
5-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzamide
CID 62046369
5-bromo-N-(1-cyclohexylethyl)-2-methylbenzamide
CID 65309722
2-(4-bromo-2-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide
CID 47113835
6-(4-bromo-2-fluoroanilino)-7-fluoro-3H-benzimidazole-5-carboxylic acid
CID 21114208

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluoroanilino)-N-(1-cyclopropylethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4-(4-bromo-2-fluoroanilino)-N-(1-cyclopropylethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide (CID 69488407) is 4-(4-bromo-2-fluoroanilino)-N-(1-cyclopropylethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-(4-bromo-2-fluoroanilino)-N-(1-cyclopropylethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-(4-bromo-2-fluoroanilino)-N-(1-cyclopropylethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide is CC(NC(=O)c1c[nH]c(=O)c(F)c1Nc1ccc(Br)cc1F)C1CC1.
What is the InChIKey of 4-(4-bromo-2-fluoroanilino)-N-(1-cyclopropylethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is FNMGXXQSXLRIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF2N3O2/c1-8(9-2-3-9)22-16(24)11-7-21-17(25)14(20)15(11)23-13-5-4-10(18)6-12(13)19/h4-9H,2-3H2,1H3,(H,22,24)(H2,21,23,25).
What are the key properties of 4-(4-bromo-2-fluoroanilino)-N-(1-cyclopropylethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide?
4-(4-bromo-2-fluoroanilino)-N-(1-cyclopropylethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 412.23 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluoroanilino)-N-(1-cyclopropylethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 69488407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).