2-(2-fluoro-4-iodoanilino)-N-methylthieno[2,3-b]pyridine-3-carboxamide

C15H11FIN3OS — CID 24739363

IUPAC2-(2-fluoro-4-iodoanilino)-N-methylthieno[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(Nc2ccc(I)cc2F)sc2ncccc12
InChIInChI=1S/C15H11FIN3OS/c1-18-13(21)12-9-3-2-6-19-14(9)22-15(12)20-11-5-4-8(17)7-10(11)16/h2-7,20H,1H3,(H,18,21)
InChIKeyWYYKTUHZOZJOGI-UHFFFAOYSA-N
MW427.24 g/mol
LogP4.14
Rot. Bonds3

About 2-(2-fluoro-4-iodoanilino)-N-methylthieno[2,3-b]pyridine-3-carboxamide

2-(2-fluoro-4-iodoanilino)-N-methylthieno[2,3-b]pyridine-3-carboxamide (PubChem CID 24739363) has the molecular formula C15H11FIN3OS and a molecular weight of 427.24 g/mol. Its IUPAC name is 2-(2-fluoro-4-iodoanilino)-N-methylthieno[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-4-iodoanilino)-N-methylthieno[2,3-b]pyridine-3-carboxamide
PubChem CID24739363
Molecular FormulaC15H11FIN3OS
Molecular Weight427.24 g/mol
Exact Mass426.97
IUPAC Name2-(2-fluoro-4-iodoanilino)-N-methylthieno[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(Nc2ccc(I)cc2F)sc2ncccc12
InChIInChI=1S/C15H11FIN3OS/c1-18-13(21)12-9-3-2-6-19-14(9)22-15(12)20-11-5-4-8(17)7-10(11)16/h2-7,20H,1H3,(H,18,21)
InChIKeyWYYKTUHZOZJOGI-UHFFFAOYSA-N
XLogP4.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.24
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-N-methylthieno[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-(2-fluoro-4-iodoanilino)-N-methylthieno[2,3-b]pyridine-3-carboxamide (CID 24739363) is 2-(2-fluoro-4-iodoanilino)-N-methylthieno[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-fluoro-4-iodoanilino)-N-methylthieno[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-fluoro-4-iodoanilino)-N-methylthieno[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(Nc2ccc(I)cc2F)sc2ncccc12.
What is the InChIKey of 2-(2-fluoro-4-iodoanilino)-N-methylthieno[2,3-b]pyridine-3-carboxamide?
The InChIKey is WYYKTUHZOZJOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FIN3OS/c1-18-13(21)12-9-3-2-6-19-14(9)22-15(12)20-11-5-4-8(17)7-10(11)16/h2-7,20H,1H3,(H,18,21).
What are the key properties of 2-(2-fluoro-4-iodoanilino)-N-methylthieno[2,3-b]pyridine-3-carboxamide?
2-(2-fluoro-4-iodoanilino)-N-methylthieno[2,3-b]pyridine-3-carboxamide has a molecular weight of 427.24 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-iodoanilino)-N-methylthieno[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 24739363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).