N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-[[3-methoxy-2-(methylsulfamoylamino)-4-pyridinyl]oxy]-1,5-dimethyl-6-oxopyridine-3-carboxamide

C24H26FIN6O6S — CID 170385426

About N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-[[3-methoxy-2-(methylsulfamoylamino)-4-pyridinyl]oxy]-1,5-dimethyl-6-oxopyridine-3-carboxamide

N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-[[3-methoxy-2-(methylsulfamoylamino)-4-pyridinyl]oxy]-1,5-dimethyl-6-oxopyridine-3-carboxamide (PubChem CID 170385426) has the molecular formula C24H26FIN6O6S and a molecular weight of 672.48 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-[[3-methoxy-2-(methylsulfamoylamino)-4-pyridinyl]oxy]-1,5-dimethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-[[3-methoxy-2-(methylsulfamoylamino)-4-pyridinyl]oxy]-1,5-dimethyl-6-oxopyridine-3-carboxamide
• PubChem CID: 170385426
• Molecular Formula: C24H26FIN6O6S
• Molecular Weight: 672.48 g/mol
• Exact Mass: 672.07
• IUPAC Name: N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-[[3-methoxy-2-(methylsulfamoylamino)-4-pyridinyl]oxy]-1,5-dimethyl-6-oxopyridine-3-carboxamide
• SMILES: CNS(=O)(=O)Nc1nccc(Oc2c(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)n(C)c(=O)c2C)c1OC
• InChI: InChI=1S/C24H26FIN6O6S/c1-12-19(38-17-9-10-28-21(20(17)37-4)31-39(35,36)27-2)18(23(33)29-14-6-7-14)22(32(3)24(12)34)30-16-8-5-13(26)11-15(16)25/h5,8-11,14,27,30H,6-7H2,1-4H3,(H,28,31)(H,29,33)
• InChIKey: YUTYJFZSQQLENL-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 152.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	672.48
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-[[3-methoxy-2-(methylsulfamoylamino)-4-pyridinyl]oxy]-1,5-dimethyl-6-oxopyridine-3-carboxamide?

The IUPAC name of N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-[[3-methoxy-2-(methylsulfamoylamino)-4-pyridinyl]oxy]-1,5-dimethyl-6-oxopyridine-3-carboxamide (CID 170385426) is N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-[[3-methoxy-2-(methylsulfamoylamino)-4-pyridinyl]oxy]-1,5-dimethyl-6-oxopyridine-3-carboxamide.

What is the SMILES notation for N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-[[3-methoxy-2-(methylsulfamoylamino)-4-pyridinyl]oxy]-1,5-dimethyl-6-oxopyridine-3-carboxamide?

The canonical SMILES for N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-[[3-methoxy-2-(methylsulfamoylamino)-4-pyridinyl]oxy]-1,5-dimethyl-6-oxopyridine-3-carboxamide is CNS(=O)(=O)Nc1nccc(Oc2c(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)n(C)c(=O)c2C)c1OC.

What is the InChIKey of N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-[[3-methoxy-2-(methylsulfamoylamino)-4-pyridinyl]oxy]-1,5-dimethyl-6-oxopyridine-3-carboxamide?

The InChIKey is YUTYJFZSQQLENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FIN6O6S/c1-12-19(38-17-9-10-28-21(20(17)37-4)31-39(35,36)27-2)18(23(33)29-14-6-7-14)22(32(3)24(12)34)30-16-8-5-13(26)11-15(16)25/h5,8-11,14,27,30H,6-7H2,1-4H3,(H,28,31)(H,29,33).

What are the key properties of N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-[[3-methoxy-2-(methylsulfamoylamino)-4-pyridinyl]oxy]-1,5-dimethyl-6-oxopyridine-3-carboxamide?

N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-[[3-methoxy-2-(methylsulfamoylamino)-4-pyridinyl]oxy]-1,5-dimethyl-6-oxopyridine-3-carboxamide has a molecular weight of 672.48 g/mol, XLogP of 3.15, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-[[3-methoxy-2-(methylsulfamoylamino)-4-pyridinyl]oxy]-1,5-dimethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 170385426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).