2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide

C17H15FIN3O4S — CID 54575087

IUPAC2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2nc(N(C)S(C)(=O)=O)c(I)cc12
InChIInChI=1S/C17H15FIN3O4S/c1-20-16(23)13-11-8-12(19)15(22(2)27(3,24)25)21-17(11)26-14(13)9-4-6-10(18)7-5-9/h4-8H,1-3H3,(H,20,23)
InChIKeyUGQMZWYZGRLUKF-UHFFFAOYSA-N
MW503.29 g/mol
LogP2.99
Rot. Bonds4

About 2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide

2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide (PubChem CID 54575087) has the molecular formula C17H15FIN3O4S and a molecular weight of 503.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide
PubChem CID54575087
Molecular FormulaC17H15FIN3O4S
Molecular Weight503.29 g/mol
Exact Mass502.98
IUPAC Name2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2nc(N(C)S(C)(=O)=O)c(I)cc12
InChIInChI=1S/C17H15FIN3O4S/c1-20-16(23)13-11-8-12(19)15(22(2)27(3,24)25)21-17(11)26-14(13)9-4-6-10(18)7-5-9/h4-8H,1-3H3,(H,20,23)
InChIKeyUGQMZWYZGRLUKF-UHFFFAOYSA-N
XLogP2.99
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-fluorophenyl)-5-iodo-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide (CID 54575087) is 2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(N(C)S(C)(=O)=O)c(I)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is UGQMZWYZGRLUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FIN3O4S/c1-20-16(23)13-11-8-12(19)15(22(2)27(3,24)25)21-17(11)26-14(13)9-4-6-10(18)7-5-9/h4-8H,1-3H3,(H,20,23).
What are the key properties of 2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide?
2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 503.29 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 54575087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).