3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-N-methylfuro[3,2-c]pyridine-2-carboxamide

C17H15FIN3O4 — CID 25013309

IUPAC3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-N-methylfuro[3,2-c]pyridine-2-carboxamide
SMILESCN(OCCO)C(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C17H15FIN3O4/c1-22(25-7-6-23)17(24)16-15(11-9-20-5-4-14(11)26-16)21-13-3-2-10(19)8-12(13)18/h2-5,8-9,21,23H,6-7H2,1H3
InChIKeyOWQKOFHCOAAMTL-UHFFFAOYSA-N
MW471.23 g/mol
LogP3.31
Rot. Bonds6

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

3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-N-methylfuro[3,2-c]pyridine-2-carboxamide (PubChem CID 25013309) has the molecular formula C17H15FIN3O4 and a molecular weight of 471.23 g/mol. Its IUPAC name is 3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-N-methylfuro[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-N-methylfuro[3,2-c]pyridine-2-carboxamide
PubChem CID25013309
Molecular FormulaC17H15FIN3O4
Molecular Weight471.23 g/mol
Exact Mass471.01
IUPAC Name3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-N-methylfuro[3,2-c]pyridine-2-carboxamide
SMILESCN(OCCO)C(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C17H15FIN3O4/c1-22(25-7-6-23)17(24)16-15(11-9-20-5-4-14(11)26-16)21-13-3-2-10(19)8-12(13)18/h2-5,8-9,21,23H,6-7H2,1H3
InChIKeyOWQKOFHCOAAMTL-UHFFFAOYSA-N
XLogP3.31
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.23
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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
3-[(4-Cyclopropyl-2-Fluorophenyl)amino]-N-(2-Hydroxyethoxy)furo[3,2-C]pyridine-2-Carboxamide
CID 78333433
3-Cyclopropaneamido-N-[(4-fluorophenyl)methyl]-N-[(pyridin-3-YL)methyl]-1-benzofuran-2-carboxamide
CID 20925777
7-Fluoro-3-[(2-fluoro-4-iodophenyl)amino]furo[3,2-c]pyridine-2-carboxylic acid N-[((S)-2-hydroxypropyl)oxy]amide
CID 75240007
Ethyl 3-aminofuro[3,2-c]pyridine-2-carboxylate
CID 23731217
3-(2-fluorobenzamido)-N-(2-methoxyphenyl)furo[3,2-b]pyridine-2-carboxamide
CID 16939933
3-Cyclopentaneamido-N-[(4-fluorophenyl)methyl]-N-[(pyridin-3-YL)methyl]-1-benzofuran-2-carboxamide
CID 20925760
N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide
CID 11223346
N-(2-carbamoyl-6-fluoro-1-benzofuran-3-yl)-6-phenoxypyridine-3-carboxamide
CID 11326763
3-[(4-Fluorobenzoyl)amino]furo[2,3-b]pyridine-2-carboxamide
CID 16124051

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-N-methylfuro[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-N-methylfuro[3,2-c]pyridine-2-carboxamide (CID 25013309) is 3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-N-methylfuro[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-N-methylfuro[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-N-methylfuro[3,2-c]pyridine-2-carboxamide is CN(OCCO)C(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F.
What is the InChIKey of 3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-N-methylfuro[3,2-c]pyridine-2-carboxamide?
The InChIKey is OWQKOFHCOAAMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FIN3O4/c1-22(25-7-6-23)17(24)16-15(11-9-20-5-4-14(11)26-16)21-13-3-2-10(19)8-12(13)18/h2-5,8-9,21,23H,6-7H2,1H3.
What are the key properties of 3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-N-methylfuro[3,2-c]pyridine-2-carboxamide?
3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-N-methylfuro[3,2-c]pyridine-2-carboxamide has a molecular weight of 471.23 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-N-methylfuro[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 25013309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).