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

C17H15FIN3O2S — CID 24739703

IUPAC2-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)thieno[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCCCO)c1c(Nc2ccc(I)cc2F)sc2ncccc12
InChIInChI=1S/C17H15FIN3O2S/c18-12-9-10(19)4-5-13(12)22-17-14(15(24)20-7-2-8-23)11-3-1-6-21-16(11)25-17/h1,3-6,9,22-23H,2,7-8H2,(H,20,24)
InChIKeySFRFGZMSUUHEOC-UHFFFAOYSA-N
MW471.30 g/mol
LogP3.90
Rot. Bonds6

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

2-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)thieno[2,3-b]pyridine-3-carboxamide (PubChem CID 24739703) has the molecular formula C17H15FIN3O2S and a molecular weight of 471.30 g/mol. Its IUPAC name is 2-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)thieno[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)thieno[2,3-b]pyridine-3-carboxamide
PubChem CID24739703
Molecular FormulaC17H15FIN3O2S
Molecular Weight471.30 g/mol
Exact Mass470.99
IUPAC Name2-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)thieno[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCCCO)c1c(Nc2ccc(I)cc2F)sc2ncccc12
InChIInChI=1S/C17H15FIN3O2S/c18-12-9-10(19)4-5-13(12)22-17-14(15(24)20-7-2-8-23)11-3-1-6-21-16(11)25-17/h1,3-6,9,22-23H,2,7-8H2,(H,20,24)
InChIKeySFRFGZMSUUHEOC-UHFFFAOYSA-N
XLogP3.90
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.30
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-hydroxypropyl)thieno[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)thieno[2,3-b]pyridine-3-carboxamide (CID 24739703) is 2-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)thieno[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)thieno[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)thieno[2,3-b]pyridine-3-carboxamide is O=C(NCCCO)c1c(Nc2ccc(I)cc2F)sc2ncccc12.
What is the InChIKey of 2-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)thieno[2,3-b]pyridine-3-carboxamide?
The InChIKey is SFRFGZMSUUHEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FIN3O2S/c18-12-9-10(19)4-5-13(12)22-17-14(15(24)20-7-2-8-23)11-3-1-6-21-16(11)25-17/h1,3-6,9,22-23H,2,7-8H2,(H,20,24).
What are the key properties of 2-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)thieno[2,3-b]pyridine-3-carboxamide?
2-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)thieno[2,3-b]pyridine-3-carboxamide has a molecular weight of 471.30 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)thieno[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 24739703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).