2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide

C21H20F2IN5O4S — CID 156808814

IUPAC2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCNS(=O)(=O)Nc1cccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)n(C)c2=O)c1F
InChIInChI=1S/C21H20F2IN5O4S/c1-26-34(32,33)28-17-5-3-4-11(18(17)23)8-12-9-14(19(25)30)20(29(2)21(12)31)27-16-7-6-13(24)10-15(16)22/h3-7,9-10,26-28H,8H2,1-2H3,(H2,25,30)
InChIKeyKWSIGBRAMTYPHR-UHFFFAOYSA-N
MW603.39 g/mol
LogP2.58
Rot. Bonds8

About 2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide

2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 156808814) has the molecular formula C21H20F2IN5O4S and a molecular weight of 603.39 g/mol. Its IUPAC name is 2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID156808814
Molecular FormulaC21H20F2IN5O4S
Molecular Weight603.39 g/mol
Exact Mass603.02
IUPAC Name2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCNS(=O)(=O)Nc1cccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)n(C)c2=O)c1F
InChIInChI=1S/C21H20F2IN5O4S/c1-26-34(32,33)28-17-5-3-4-11(18(17)23)8-12-9-14(19(25)30)20(29(2)21(12)31)27-16-7-6-13(24)10-15(16)22/h3-7,9-10,26-28H,8H2,1-2H3,(H2,25,30)
InChIKeyKWSIGBRAMTYPHR-UHFFFAOYSA-N
XLogP2.58
TPSA135.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500603.39
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-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

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 156808814) is 2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide is CNS(=O)(=O)Nc1cccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)n(C)c2=O)c1F.
What is the InChIKey of 2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is KWSIGBRAMTYPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2IN5O4S/c1-26-34(32,33)28-17-5-3-4-11(18(17)23)8-12-9-14(19(25)30)20(29(2)21(12)31)27-16-7-6-13(24)10-15(16)22/h3-7,9-10,26-28H,8H2,1-2H3,(H2,25,30).
What are the key properties of 2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide?
2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 603.39 g/mol, XLogP of 2.58, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 156808814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).