3-(2-fluoro-4-iodoanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-2-carboxamide

C19H19FIN3O2 — CID 25012346

IUPAC3-(2-fluoro-4-iodoanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C19H19FIN3O2/c1-11(2)5-8-23-19(25)18-17(13-10-22-7-6-16(13)26-18)24-15-4-3-12(21)9-14(15)20/h3-4,6-7,9-11,24H,5,8H2,1-2H3,(H,23,25)
InChIKeyGNHSMQMLKMKGAV-UHFFFAOYSA-N
MW467.28 g/mol
LogP5.09
Rot. Bonds6

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

3-(2-fluoro-4-iodoanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-2-carboxamide (PubChem CID 25012346) has the molecular formula C19H19FIN3O2 and a molecular weight of 467.28 g/mol. Its IUPAC name is 3-(2-fluoro-4-iodoanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2-fluoro-4-iodoanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-2-carboxamide
PubChem CID25012346
Molecular FormulaC19H19FIN3O2
Molecular Weight467.28 g/mol
Exact Mass467.05
IUPAC Name3-(2-fluoro-4-iodoanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C19H19FIN3O2/c1-11(2)5-8-23-19(25)18-17(13-10-22-7-6-16(13)26-18)24-15-4-3-12(21)9-14(15)20/h3-4,6-7,9-11,24H,5,8H2,1-2H3,(H,23,25)
InChIKeyGNHSMQMLKMKGAV-UHFFFAOYSA-N
XLogP5.09
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.28
LogP ≤ 55.09
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-(3-methylbutyl)furo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-(2-fluoro-4-iodoanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-2-carboxamide (CID 25012346) is 3-(2-fluoro-4-iodoanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-(2-fluoro-4-iodoanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-(2-fluoro-4-iodoanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-2-carboxamide is CC(C)CCNC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F.
What is the InChIKey of 3-(2-fluoro-4-iodoanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-2-carboxamide?
The InChIKey is GNHSMQMLKMKGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FIN3O2/c1-11(2)5-8-23-19(25)18-17(13-10-22-7-6-16(13)26-18)24-15-4-3-12(21)9-14(15)20/h3-4,6-7,9-11,24H,5,8H2,1-2H3,(H,23,25).
What are the key properties of 3-(2-fluoro-4-iodoanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-2-carboxamide?
3-(2-fluoro-4-iodoanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-2-carboxamide has a molecular weight of 467.28 g/mol, XLogP of 5.09, 6 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-(3-methylbutyl)furo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 25012346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).