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

C24H23F2IN4O4S — CID 156808778

IUPAC2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-[(1-methylcyclopropyl)sulfonylamino]phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1c(Nc2ccc(I)cc2F)c(C(N)=O)cc(Cc2cccc(NS(=O)(=O)C3(C)CC3)c2F)c1=O
InChIInChI=1S/C24H23F2IN4O4S/c1-24(8-9-24)36(34,35)30-19-5-3-4-13(20(19)26)10-14-11-16(21(28)32)22(31(2)23(14)33)29-18-7-6-15(27)12-17(18)25/h3-7,11-12,29-30H,8-10H2,1-2H3,(H2,28,32)
InChIKeyJPOHYOWEEKRRJK-UHFFFAOYSA-N
MW628.44 g/mol
LogP4.00
Rot. Bonds8

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

2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-[(1-methylcyclopropyl)sulfonylamino]phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 156808778) has the molecular formula C24H23F2IN4O4S and a molecular weight of 628.44 g/mol. Its IUPAC name is 2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-[(1-methylcyclopropyl)sulfonylamino]phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-[(1-methylcyclopropyl)sulfonylamino]phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID156808778
Molecular FormulaC24H23F2IN4O4S
Molecular Weight628.44 g/mol
Exact Mass628.05
IUPAC Name2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-[(1-methylcyclopropyl)sulfonylamino]phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1c(Nc2ccc(I)cc2F)c(C(N)=O)cc(Cc2cccc(NS(=O)(=O)C3(C)CC3)c2F)c1=O
InChIInChI=1S/C24H23F2IN4O4S/c1-24(8-9-24)36(34,35)30-19-5-3-4-13(20(19)26)10-14-11-16(21(28)32)22(31(2)23(14)33)29-18-7-6-15(27)12-17(18)25/h3-7,11-12,29-30H,8-10H2,1-2H3,(H2,28,32)
InChIKeyJPOHYOWEEKRRJK-UHFFFAOYSA-N
XLogP4.00
TPSA123.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500628.44
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-[(1-methylcyclopropyl)sulfonylamino]phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-[(1-methylcyclopropyl)sulfonylamino]phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 156808778) is 2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-[(1-methylcyclopropyl)sulfonylamino]phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-[(1-methylcyclopropyl)sulfonylamino]phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-[(1-methylcyclopropyl)sulfonylamino]phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide is Cn1c(Nc2ccc(I)cc2F)c(C(N)=O)cc(Cc2cccc(NS(=O)(=O)C3(C)CC3)c2F)c1=O.
What is the InChIKey of 2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-[(1-methylcyclopropyl)sulfonylamino]phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is JPOHYOWEEKRRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2IN4O4S/c1-24(8-9-24)36(34,35)30-19-5-3-4-13(20(19)26)10-14-11-16(21(28)32)22(31(2)23(14)33)29-18-7-6-15(27)12-17(18)25/h3-7,11-12,29-30H,8-10H2,1-2H3,(H2,28,32).
What are the key properties of 2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-[(1-methylcyclopropyl)sulfonylamino]phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide?
2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-[(1-methylcyclopropyl)sulfonylamino]phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 628.44 g/mol, XLogP of 4.00, 8 rotatable bonds, 3 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-[(1-methylcyclopropyl)sulfonylamino]phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 156808778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).