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

C24H24F2IN5O4S — CID 156808800

IUPACN-cyclopropyl-2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCNS(=O)(=O)Nc1cccc(Cc2cc(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)n(C)c2=O)c1F
InChIInChI=1S/C24H24F2IN5O4S/c1-28-37(35,36)31-20-5-3-4-13(21(20)26)10-14-11-17(23(33)29-16-7-8-16)22(32(2)24(14)34)30-19-9-6-15(27)12-18(19)25/h3-6,9,11-12,16,28,30-31H,7-8,10H2,1-2H3,(H,29,33)
InChIKeyGJFBRQSLUZVDGK-UHFFFAOYSA-N
MW643.45 g/mol
LogP3.37
Rot. Bonds9

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

N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 156808800) has the molecular formula C24H24F2IN5O4S and a molecular weight of 643.45 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID156808800
Molecular FormulaC24H24F2IN5O4S
Molecular Weight643.45 g/mol
Exact Mass643.06
IUPAC NameN-cyclopropyl-2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCNS(=O)(=O)Nc1cccc(Cc2cc(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)n(C)c2=O)c1F
InChIInChI=1S/C24H24F2IN5O4S/c1-28-37(35,36)31-20-5-3-4-13(21(20)26)10-14-11-17(23(33)29-16-7-8-16)22(32(2)24(14)34)30-19-9-6-15(27)12-18(19)25/h3-6,9,11-12,16,28,30-31H,7-8,10H2,1-2H3,(H,29,33)
InChIKeyGJFBRQSLUZVDGK-UHFFFAOYSA-N
XLogP3.37
TPSA121.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500643.45
LogP ≤ 53.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-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 N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 156808800) is N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-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(=O)NC3CC3)c(Nc3ccc(I)cc3F)n(C)c2=O)c1F.
What is the InChIKey of N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is GJFBRQSLUZVDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2IN5O4S/c1-28-37(35,36)31-20-5-3-4-13(21(20)26)10-14-11-17(23(33)29-16-7-8-16)22(32(2)24(14)34)30-19-9-6-15(27)12-18(19)25/h3-6,9,11-12,16,28,30-31H,7-8,10H2,1-2H3,(H,29,33).
What are the key properties of N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide?
N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 643.45 g/mol, XLogP of 3.37, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 156808800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).