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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Related Compounds

G-573
CID 46926364
N-{[(2r)-2,3-Dihydroxypropyl]oxy}-3-[(2-Fluoro-4-Iodophenyl)amino]furo[3,2-C]pyridine-2-Carboxamide
CID 24743899
3-((2-Fluoro-4-iodophenyl)amino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
CID 25013308
9-dimethylamino-3-(4''-methyl-1''-cyclohexyl)-3H-1,3,6-triazafluoren-4-one
CID 11493585
Benzofuran-2-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606572
2-Ethyl-7-methoxyfuro[2,3-c]pyridine-4-carboxylic acid (2,6-difluorophenyl)amide
CID 44365329
N-[2-(dimethylamino)ethyl]-3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxamide
CID 53316582
3-(1-(hydroxyimino)isoindolin-5-ylamino)-N-isopropylfuro[2,3-c]pyridine-2-carboxamide
CID 53319337
5-[[3-(1-Benzofuran-2-carbonylamino)phenyl]methoxy]pyridine-3-carboxamide
CID 124156875
N-(6-methoxypyridin-3-yl)-1-benzofuran-2-carboxamide
CID 1503572
5-(2-methylpropyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 5295600
3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
CID 648777

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).