3-(2-fluoro-4-iodoanilino)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]furo[3,2-c]pyridine-2-carboxamide

C20H18FIN4O4 — CID 25013480

IUPAC3-(2-fluoro-4-iodoanilino)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]furo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NOCCN1CCCC1=O)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C20H18FIN4O4/c21-14-10-12(22)3-4-15(14)24-18-13-11-23-6-5-16(13)30-19(18)20(28)25-29-9-8-26-7-1-2-17(26)27/h3-6,10-11,24H,1-2,7-9H2,(H,25,28)
InChIKeyRILXIUKJZTVWOR-UHFFFAOYSA-N
MW524.29 g/mol
LogP3.60
Rot. Bonds7

About 3-(2-fluoro-4-iodoanilino)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]furo[3,2-c]pyridine-2-carboxamide

3-(2-fluoro-4-iodoanilino)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]furo[3,2-c]pyridine-2-carboxamide (PubChem CID 25013480) has the molecular formula C20H18FIN4O4 and a molecular weight of 524.29 g/mol. Its IUPAC name is 3-(2-fluoro-4-iodoanilino)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]furo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2-fluoro-4-iodoanilino)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]furo[3,2-c]pyridine-2-carboxamide
PubChem CID25013480
Molecular FormulaC20H18FIN4O4
Molecular Weight524.29 g/mol
Exact Mass524.04
IUPAC Name3-(2-fluoro-4-iodoanilino)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]furo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NOCCN1CCCC1=O)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C20H18FIN4O4/c21-14-10-12(22)3-4-15(14)24-18-13-11-23-6-5-16(13)30-19(18)20(28)25-29-9-8-26-7-1-2-17(26)27/h3-6,10-11,24H,1-2,7-9H2,(H,25,28)
InChIKeyRILXIUKJZTVWOR-UHFFFAOYSA-N
XLogP3.60
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.29
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-iodoanilino)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]furo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-(2-fluoro-4-iodoanilino)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]furo[3,2-c]pyridine-2-carboxamide (CID 25013480) is 3-(2-fluoro-4-iodoanilino)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]furo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-(2-fluoro-4-iodoanilino)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]furo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-(2-fluoro-4-iodoanilino)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]furo[3,2-c]pyridine-2-carboxamide is O=C(NOCCN1CCCC1=O)c1oc2ccncc2c1Nc1ccc(I)cc1F.
What is the InChIKey of 3-(2-fluoro-4-iodoanilino)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]furo[3,2-c]pyridine-2-carboxamide?
The InChIKey is RILXIUKJZTVWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FIN4O4/c21-14-10-12(22)3-4-15(14)24-18-13-11-23-6-5-16(13)30-19(18)20(28)25-29-9-8-26-7-1-2-17(26)27/h3-6,10-11,24H,1-2,7-9H2,(H,25,28).
What are the key properties of 3-(2-fluoro-4-iodoanilino)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]furo[3,2-c]pyridine-2-carboxamide?
3-(2-fluoro-4-iodoanilino)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]furo[3,2-c]pyridine-2-carboxamide has a molecular weight of 524.29 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-iodoanilino)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]furo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 25013480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).