4-(2-fluoro-4-iodoanilino)-1-[[3-fluoro-2-[(1-methylcyclobutyl)sulfamoylamino]-4-pyridinyl]methyl]-5-methyl-6-oxopyridine-3-carboxamide

C24H25F2IN6O4S — CID 156808978

About 4-(2-fluoro-4-iodoanilino)-1-[[3-fluoro-2-[(1-methylcyclobutyl)sulfamoylamino]-4-pyridinyl]methyl]-5-methyl-6-oxopyridine-3-carboxamide

4-(2-fluoro-4-iodoanilino)-1-[[3-fluoro-2-[(1-methylcyclobutyl)sulfamoylamino]-4-pyridinyl]methyl]-5-methyl-6-oxopyridine-3-carboxamide (PubChem CID 156808978) has the molecular formula C24H25F2IN6O4S and a molecular weight of 658.47 g/mol. Its IUPAC name is 4-(2-fluoro-4-iodoanilino)-1-[[3-fluoro-2-[(1-methylcyclobutyl)sulfamoylamino]-4-pyridinyl]methyl]-5-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(2-fluoro-4-iodoanilino)-1-[[3-fluoro-2-[(1-methylcyclobutyl)sulfamoylamino]-4-pyridinyl]methyl]-5-methyl-6-oxopyridine-3-carboxamide
• PubChem CID: 156808978
• Molecular Formula: C24H25F2IN6O4S
• Molecular Weight: 658.47 g/mol
• Exact Mass: 658.07
• IUPAC Name: 4-(2-fluoro-4-iodoanilino)-1-[[3-fluoro-2-[(1-methylcyclobutyl)sulfamoylamino]-4-pyridinyl]methyl]-5-methyl-6-oxopyridine-3-carboxamide
• SMILES: Cc1c(Nc2ccc(I)cc2F)c(C(N)=O)cn(Cc2ccnc(NS(=O)(=O)NC3(C)CCC3)c2F)c1=O
• InChI: InChI=1S/C24H25F2IN6O4S/c1-13-20(30-18-5-4-15(27)10-17(18)25)16(21(28)34)12-33(23(13)35)11-14-6-9-29-22(19(14)26)31-38(36,37)32-24(2)7-3-8-24/h4-6,9-10,12,30,32H,3,7-8,11H2,1-2H3,(H2,28,34)(H,29,31)
• InChIKey: QNTGJAKMNSBSBC-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 148.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	658.47
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-iodoanilino)-1-[[3-fluoro-2-[(1-methylcyclobutyl)sulfamoylamino]-4-pyridinyl]methyl]-5-methyl-6-oxopyridine-3-carboxamide?

The IUPAC name of 4-(2-fluoro-4-iodoanilino)-1-[[3-fluoro-2-[(1-methylcyclobutyl)sulfamoylamino]-4-pyridinyl]methyl]-5-methyl-6-oxopyridine-3-carboxamide (CID 156808978) is 4-(2-fluoro-4-iodoanilino)-1-[[3-fluoro-2-[(1-methylcyclobutyl)sulfamoylamino]-4-pyridinyl]methyl]-5-methyl-6-oxopyridine-3-carboxamide.

What is the SMILES notation for 4-(2-fluoro-4-iodoanilino)-1-[[3-fluoro-2-[(1-methylcyclobutyl)sulfamoylamino]-4-pyridinyl]methyl]-5-methyl-6-oxopyridine-3-carboxamide?

The canonical SMILES for 4-(2-fluoro-4-iodoanilino)-1-[[3-fluoro-2-[(1-methylcyclobutyl)sulfamoylamino]-4-pyridinyl]methyl]-5-methyl-6-oxopyridine-3-carboxamide is Cc1c(Nc2ccc(I)cc2F)c(C(N)=O)cn(Cc2ccnc(NS(=O)(=O)NC3(C)CCC3)c2F)c1=O.

What is the InChIKey of 4-(2-fluoro-4-iodoanilino)-1-[[3-fluoro-2-[(1-methylcyclobutyl)sulfamoylamino]-4-pyridinyl]methyl]-5-methyl-6-oxopyridine-3-carboxamide?

The InChIKey is QNTGJAKMNSBSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2IN6O4S/c1-13-20(30-18-5-4-15(27)10-17(18)25)16(21(28)34)12-33(23(13)35)11-14-6-9-29-22(19(14)26)31-38(36,37)32-24(2)7-3-8-24/h4-6,9-10,12,30,32H,3,7-8,11H2,1-2H3,(H2,28,34)(H,29,31).

What are the key properties of 4-(2-fluoro-4-iodoanilino)-1-[[3-fluoro-2-[(1-methylcyclobutyl)sulfamoylamino]-4-pyridinyl]methyl]-5-methyl-6-oxopyridine-3-carboxamide?

4-(2-fluoro-4-iodoanilino)-1-[[3-fluoro-2-[(1-methylcyclobutyl)sulfamoylamino]-4-pyridinyl]methyl]-5-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 658.47 g/mol, XLogP of 3.51, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-fluoro-4-iodoanilino)-1-[[3-fluoro-2-[(1-methylcyclobutyl)sulfamoylamino]-4-pyridinyl]methyl]-5-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 156808978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).