4-(4-bromo-2-fluoroanilino)-1-(cyclopropylmethylsulfonyl)-5-methyl-6-oxopyridine-3-carboxamide

C17H17BrFN3O4S — CID 69488552

IUPAC4-(4-bromo-2-fluoroanilino)-1-(cyclopropylmethylsulfonyl)-5-methyl-6-oxopyridine-3-carboxamide
SMILESCc1c(Nc2ccc(Br)cc2F)c(C(N)=O)cn(S(=O)(=O)CC2CC2)c1=O
InChIInChI=1S/C17H17BrFN3O4S/c1-9-15(21-14-5-4-11(18)6-13(14)19)12(16(20)23)7-22(17(9)24)27(25,26)8-10-2-3-10/h4-7,10,21H,2-3,8H2,1H3,(H2,20,23)
InChIKeySGDYJCCYOFJKJF-UHFFFAOYSA-N
MW458.31 g/mol
LogP2.49
Rot. Bonds6

About 4-(4-bromo-2-fluoroanilino)-1-(cyclopropylmethylsulfonyl)-5-methyl-6-oxopyridine-3-carboxamide

4-(4-bromo-2-fluoroanilino)-1-(cyclopropylmethylsulfonyl)-5-methyl-6-oxopyridine-3-carboxamide (PubChem CID 69488552) has the molecular formula C17H17BrFN3O4S and a molecular weight of 458.31 g/mol. Its IUPAC name is 4-(4-bromo-2-fluoroanilino)-1-(cyclopropylmethylsulfonyl)-5-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-(4-bromo-2-fluoroanilino)-1-(cyclopropylmethylsulfonyl)-5-methyl-6-oxopyridine-3-carboxamide
PubChem CID69488552
Molecular FormulaC17H17BrFN3O4S
Molecular Weight458.31 g/mol
Exact Mass457.01
IUPAC Name4-(4-bromo-2-fluoroanilino)-1-(cyclopropylmethylsulfonyl)-5-methyl-6-oxopyridine-3-carboxamide
SMILESCc1c(Nc2ccc(Br)cc2F)c(C(N)=O)cn(S(=O)(=O)CC2CC2)c1=O
InChIInChI=1S/C17H17BrFN3O4S/c1-9-15(21-14-5-4-11(18)6-13(14)19)12(16(20)23)7-22(17(9)24)27(25,26)8-10-2-3-10/h4-7,10,21H,2-3,8H2,1H3,(H2,20,23)
InChIKeySGDYJCCYOFJKJF-UHFFFAOYSA-N
XLogP2.49
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.31
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(4-bromo-2-fluoroanilino)-1-(cyclopropylmethylsulfonyl)-5-methyl-6-oxopyridine-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)-1,5-bis(methylsulfonyl)-6-oxopyridine-3-carboxamide
CID 69489340
4-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 11690375
cyclopropylmethyl 4-(4-bromo-2-fluoroanilino)-1-carbamoyl-5-[fluoro(methylsulfonyl)methyl]-6-oxopyridine-3-carboxylate
CID 69487927
4-(4-bromo-2-fluoroanilino)-N-ethoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 11395411
4-[(4-bromo-2-fluorophenyl)methyl]-1-(2-cyclopropylethyl)-5-fluoro-6-oxopyridine-3-carboxamide
CID 58360840
7-(4-bromo-2-fluoroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxamide
CID 71189060
N-[4-(4-bromo-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide
CID 71163488
4-(4-bromo-2-fluoroanilino)-3-fluoro-1,5-dimethylpyridin-2-one
CID 90144048
5-[(4-bromo-2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 2990334
8-amino-7-(4-bromo-2-fluoroanilino)-6-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 70661928
N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridazine-3-carboxamide
CID 16667254
cyclopropylmethyl 7-(4-bromo-2-fluoroanilino)-1-carbamoyl-6-chloro-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 66771065

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluoroanilino)-1-(cyclopropylmethylsulfonyl)-5-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 4-(4-bromo-2-fluoroanilino)-1-(cyclopropylmethylsulfonyl)-5-methyl-6-oxopyridine-3-carboxamide (CID 69488552) is 4-(4-bromo-2-fluoroanilino)-1-(cyclopropylmethylsulfonyl)-5-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-(4-bromo-2-fluoroanilino)-1-(cyclopropylmethylsulfonyl)-5-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 4-(4-bromo-2-fluoroanilino)-1-(cyclopropylmethylsulfonyl)-5-methyl-6-oxopyridine-3-carboxamide is Cc1c(Nc2ccc(Br)cc2F)c(C(N)=O)cn(S(=O)(=O)CC2CC2)c1=O.
What is the InChIKey of 4-(4-bromo-2-fluoroanilino)-1-(cyclopropylmethylsulfonyl)-5-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is SGDYJCCYOFJKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN3O4S/c1-9-15(21-14-5-4-11(18)6-13(14)19)12(16(20)23)7-22(17(9)24)27(25,26)8-10-2-3-10/h4-7,10,21H,2-3,8H2,1H3,(H2,20,23).
What are the key properties of 4-(4-bromo-2-fluoroanilino)-1-(cyclopropylmethylsulfonyl)-5-methyl-6-oxopyridine-3-carboxamide?
4-(4-bromo-2-fluoroanilino)-1-(cyclopropylmethylsulfonyl)-5-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 458.31 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluoroanilino)-1-(cyclopropylmethylsulfonyl)-5-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 69488552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).