3-(2-fluoro-4-iodoanilino)-N-propan-2-ylfuro[3,2-c]pyridine-2-carboxamide

C17H15FIN3O2 — CID 25014352

IUPAC3-(2-fluoro-4-iodoanilino)-N-propan-2-ylfuro[3,2-c]pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C17H15FIN3O2/c1-9(2)21-17(23)16-15(11-8-20-6-5-14(11)24-16)22-13-4-3-10(19)7-12(13)18/h3-9,22H,1-2H3,(H,21,23)
InChIKeyJKGFUJUQHHPKKS-UHFFFAOYSA-N
MW439.23 g/mol
LogP4.45
Rot. Bonds4

About 3-(2-fluoro-4-iodoanilino)-N-propan-2-ylfuro[3,2-c]pyridine-2-carboxamide

3-(2-fluoro-4-iodoanilino)-N-propan-2-ylfuro[3,2-c]pyridine-2-carboxamide (PubChem CID 25014352) has the molecular formula C17H15FIN3O2 and a molecular weight of 439.23 g/mol. Its IUPAC name is 3-(2-fluoro-4-iodoanilino)-N-propan-2-ylfuro[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2-fluoro-4-iodoanilino)-N-propan-2-ylfuro[3,2-c]pyridine-2-carboxamide
PubChem CID25014352
Molecular FormulaC17H15FIN3O2
Molecular Weight439.23 g/mol
Exact Mass439.02
IUPAC Name3-(2-fluoro-4-iodoanilino)-N-propan-2-ylfuro[3,2-c]pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C17H15FIN3O2/c1-9(2)21-17(23)16-15(11-8-20-6-5-14(11)24-16)22-13-4-3-10(19)7-12(13)18/h3-9,22H,1-2H3,(H,21,23)
InChIKeyJKGFUJUQHHPKKS-UHFFFAOYSA-N
XLogP4.45
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.23
LogP ≤ 54.45
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 3-(2-fluoro-4-iodoanilino)-N-propan-2-ylfuro[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-(2-fluoro-4-iodoanilino)-N-propan-2-ylfuro[3,2-c]pyridine-2-carboxamide (CID 25014352) is 3-(2-fluoro-4-iodoanilino)-N-propan-2-ylfuro[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-(2-fluoro-4-iodoanilino)-N-propan-2-ylfuro[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-(2-fluoro-4-iodoanilino)-N-propan-2-ylfuro[3,2-c]pyridine-2-carboxamide is CC(C)NC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F.
What is the InChIKey of 3-(2-fluoro-4-iodoanilino)-N-propan-2-ylfuro[3,2-c]pyridine-2-carboxamide?
The InChIKey is JKGFUJUQHHPKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FIN3O2/c1-9(2)21-17(23)16-15(11-8-20-6-5-14(11)24-16)22-13-4-3-10(19)7-12(13)18/h3-9,22H,1-2H3,(H,21,23).
What are the key properties of 3-(2-fluoro-4-iodoanilino)-N-propan-2-ylfuro[3,2-c]pyridine-2-carboxamide?
3-(2-fluoro-4-iodoanilino)-N-propan-2-ylfuro[3,2-c]pyridine-2-carboxamide has a molecular weight of 439.23 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-iodoanilino)-N-propan-2-ylfuro[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 25014352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).