6-(2-fluoro-4-iodoanilino)-N-(2-methoxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide

C18H17FIN3O5 — CID 86712551

IUPAC6-(2-fluoro-4-iodoanilino)-N-(2-methoxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
SMILESCOCCONC(=O)c1c(Nc2ccc(I)cc2F)n(C)c(=O)c2ccoc12
InChIInChI=1S/C18H17FIN3O5/c1-23-16(21-13-4-3-10(20)9-12(13)19)14(17(24)22-28-8-7-26-2)15-11(18(23)25)5-6-27-15/h3-6,9,21H,7-8H2,1-2H3,(H,22,24)
InChIKeyKDRXRFUAYCXIGO-UHFFFAOYSA-N
MW501.25 g/mol
LogP2.93
Rot. Bonds7

About 6-(2-fluoro-4-iodoanilino)-N-(2-methoxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide

6-(2-fluoro-4-iodoanilino)-N-(2-methoxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide (PubChem CID 86712551) has the molecular formula C18H17FIN3O5 and a molecular weight of 501.25 g/mol. Its IUPAC name is 6-(2-fluoro-4-iodoanilino)-N-(2-methoxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name6-(2-fluoro-4-iodoanilino)-N-(2-methoxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
PubChem CID86712551
Molecular FormulaC18H17FIN3O5
Molecular Weight501.25 g/mol
Exact Mass501.02
IUPAC Name6-(2-fluoro-4-iodoanilino)-N-(2-methoxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
SMILESCOCCONC(=O)c1c(Nc2ccc(I)cc2F)n(C)c(=O)c2ccoc12
InChIInChI=1S/C18H17FIN3O5/c1-23-16(21-13-4-3-10(20)9-12(13)19)14(17(24)22-28-8-7-26-2)15-11(18(23)25)5-6-27-15/h3-6,9,21H,7-8H2,1-2H3,(H,22,24)
InChIKeyKDRXRFUAYCXIGO-UHFFFAOYSA-N
XLogP2.93
TPSA94.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.25
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

Analyze 6-(2-fluoro-4-iodoanilino)-N-(2-methoxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide with MolForge

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Related Compounds

6-(2-fluoro-4-methylanilino)-N-(2-hydroxybutoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 123636689
N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-3,5-dimethyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxamide
CID 87427349
N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-5-methyl-4-oxothieno[3,2-c]pyridine-7-carboxamide
CID 86671098
6-(2-fluoro-4-iodoanilino)-7-[hydroxy-[[(2S)-1-hydroxypropan-2-yl]oxyamino]methyl]-5-methylfuro[3,2-c]pyridin-4-one
CID 126592413
6-(2-fluoro-4-iodoanilino)-7-[hydroxy-[(1-hydroxy-2-methylpropan-2-yl)oxyamino]methyl]-5-methylfuro[3,2-c]pyridin-4-one
CID 126592353
N-[(3S)-3,4-dihydroxybutoxy]-4-(2-fluoro-4-iodoanilino)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
CID 25108961
2-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridine-3-carbonyl]amino]oxyethyl (2S)-2-aminopropanoate
CID 89307323
6-(2-fluoro-4-iodoanilino)-2,5-dimethyl-4-oxofuro[3,2-c]pyridine-7-carboxylate
CID 140595554
5-acetyl-N-(2,3-dihydroxypropoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)-1-methylpyrrole-3-carboxamide
CID 74403119
2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 59342492
5-acetyl-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrole-3-carboxamide
CID 24784164
6-(2-fluoro-4-iodoanilino)-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
CID 25109796

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-iodoanilino)-N-(2-methoxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 6-(2-fluoro-4-iodoanilino)-N-(2-methoxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide (CID 86712551) is 6-(2-fluoro-4-iodoanilino)-N-(2-methoxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 6-(2-fluoro-4-iodoanilino)-N-(2-methoxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 6-(2-fluoro-4-iodoanilino)-N-(2-methoxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide is COCCONC(=O)c1c(Nc2ccc(I)cc2F)n(C)c(=O)c2ccoc12.
What is the InChIKey of 6-(2-fluoro-4-iodoanilino)-N-(2-methoxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide?
The InChIKey is KDRXRFUAYCXIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FIN3O5/c1-23-16(21-13-4-3-10(20)9-12(13)19)14(17(24)22-28-8-7-26-2)15-11(18(23)25)5-6-27-15/h3-6,9,21H,7-8H2,1-2H3,(H,22,24).
What are the key properties of 6-(2-fluoro-4-iodoanilino)-N-(2-methoxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide?
6-(2-fluoro-4-iodoanilino)-N-(2-methoxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide has a molecular weight of 501.25 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-iodoanilino)-N-(2-methoxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 86712551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).