3-(2-fluoro-4-iodoanilino)-2-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2,7-dicarboxamide

C17H14FIN4O5 — CID 59704749

About 3-(2-fluoro-4-iodoanilino)-2-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2,7-dicarboxamide

3-(2-fluoro-4-iodoanilino)-2-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2,7-dicarboxamide (PubChem CID 59704749) has the molecular formula C17H14FIN4O5 and a molecular weight of 500.22 g/mol. Its IUPAC name is 3-(2-fluoro-4-iodoanilino)-2-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2,7-dicarboxamide.

Molecular Properties

• Compound Name: 3-(2-fluoro-4-iodoanilino)-2-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2,7-dicarboxamide
• PubChem CID: 59704749
• Molecular Formula: C17H14FIN4O5
• Molecular Weight: 500.22 g/mol
• Exact Mass: 500.00
• IUPAC Name: 3-(2-fluoro-4-iodoanilino)-2-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2,7-dicarboxamide
• SMILES: NC(=O)c1cncc2c(Nc3ccc(I)cc3F)c(C(=O)NOCCO)oc12
• InChI: InChI=1S/C17H14FIN4O5/c18-11-5-8(19)1-2-12(11)22-13-9-6-21-7-10(16(20)25)14(9)28-15(13)17(26)23-27-4-3-24/h1-2,5-7,22,24H,3-4H2,(H2,20,25)(H,23,26)
• InChIKey: GTSUXMZVVCWKBG-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 139.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.22
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

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'}

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-iodoanilino)-2-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2,7-dicarboxamide?

The IUPAC name of 3-(2-fluoro-4-iodoanilino)-2-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2,7-dicarboxamide (CID 59704749) is 3-(2-fluoro-4-iodoanilino)-2-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2,7-dicarboxamide.

What is the SMILES notation for 3-(2-fluoro-4-iodoanilino)-2-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2,7-dicarboxamide?

The canonical SMILES for 3-(2-fluoro-4-iodoanilino)-2-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2,7-dicarboxamide is NC(=O)c1cncc2c(Nc3ccc(I)cc3F)c(C(=O)NOCCO)oc12.

What is the InChIKey of 3-(2-fluoro-4-iodoanilino)-2-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2,7-dicarboxamide?

The InChIKey is GTSUXMZVVCWKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FIN4O5/c18-11-5-8(19)1-2-12(11)22-13-9-6-21-7-10(16(20)25)14(9)28-15(13)17(26)23-27-4-3-24/h1-2,5-7,22,24H,3-4H2,(H2,20,25)(H,23,26).

What are the key properties of 3-(2-fluoro-4-iodoanilino)-2-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2,7-dicarboxamide?

3-(2-fluoro-4-iodoanilino)-2-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2,7-dicarboxamide has a molecular weight of 500.22 g/mol, XLogP of 2.07, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-fluoro-4-iodoanilino)-2-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2,7-dicarboxamide is sourced from PubChem (CID 59704749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).