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

C26H26F2IN5O4S — CID 156808928

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

N-cyclopropyl-5-[[3-(cyclopropylsulfamoylamino)-2-fluorophenyl]methyl]-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 156808928) has the molecular formula C26H26F2IN5O4S and a molecular weight of 669.49 g/mol. Its IUPAC name is N-cyclopropyl-5-[[3-(cyclopropylsulfamoylamino)-2-fluorophenyl]methyl]-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-5-[[3-(cyclopropylsulfamoylamino)-2-fluorophenyl]methyl]-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide
• PubChem CID: 156808928
• Molecular Formula: C26H26F2IN5O4S
• Molecular Weight: 669.49 g/mol
• Exact Mass: 669.07
• IUPAC Name: N-cyclopropyl-5-[[3-(cyclopropylsulfamoylamino)-2-fluorophenyl]methyl]-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide
• SMILES: Cn1c(Nc2ccc(I)cc2F)c(C(=O)NC2CC2)cc(Cc2cccc(NS(=O)(=O)NC3CC3)c2F)c1=O
• InChI: InChI=1S/C26H26F2IN5O4S/c1-34-24(31-21-10-5-16(29)13-20(21)27)19(25(35)30-17-6-7-17)12-15(26(34)36)11-14-3-2-4-22(23(14)28)33-39(37,38)32-18-8-9-18/h2-5,10,12-13,17-18,31-33H,6-9,11H2,1H3,(H,30,35)
• InChIKey: KJPIZTFQJJVHTA-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 121.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	669.49
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[[3-(cyclopropylsulfamoylamino)-2-fluorophenyl]methyl]-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide?

The IUPAC name of N-cyclopropyl-5-[[3-(cyclopropylsulfamoylamino)-2-fluorophenyl]methyl]-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide (CID 156808928) is N-cyclopropyl-5-[[3-(cyclopropylsulfamoylamino)-2-fluorophenyl]methyl]-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide.

What is the SMILES notation for N-cyclopropyl-5-[[3-(cyclopropylsulfamoylamino)-2-fluorophenyl]methyl]-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide?

The canonical SMILES for N-cyclopropyl-5-[[3-(cyclopropylsulfamoylamino)-2-fluorophenyl]methyl]-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide is Cn1c(Nc2ccc(I)cc2F)c(C(=O)NC2CC2)cc(Cc2cccc(NS(=O)(=O)NC3CC3)c2F)c1=O.

What is the InChIKey of N-cyclopropyl-5-[[3-(cyclopropylsulfamoylamino)-2-fluorophenyl]methyl]-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide?

The InChIKey is KJPIZTFQJJVHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2IN5O4S/c1-34-24(31-21-10-5-16(29)13-20(21)27)19(25(35)30-17-6-7-17)12-15(26(34)36)11-14-3-2-4-22(23(14)28)33-39(37,38)32-18-8-9-18/h2-5,10,12-13,17-18,31-33H,6-9,11H2,1H3,(H,30,35).

What are the key properties of N-cyclopropyl-5-[[3-(cyclopropylsulfamoylamino)-2-fluorophenyl]methyl]-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide?

N-cyclopropyl-5-[[3-(cyclopropylsulfamoylamino)-2-fluorophenyl]methyl]-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 669.49 g/mol, XLogP of 3.90, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-5-[[3-(cyclopropylsulfamoylamino)-2-fluorophenyl]methyl]-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 156808928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).