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

C16H13FIN3O4 — CID 25013308

IUPAC3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NOCCO)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C16H13FIN3O4/c17-11-7-9(18)1-2-12(11)20-14-10-8-19-4-3-13(10)25-15(14)16(23)21-24-6-5-22/h1-4,7-8,20,22H,5-6H2,(H,21,23)
InChIKeyLVHMCPRJISQGAK-UHFFFAOYSA-N
MW457.20 g/mol
LogP2.97
Rot. Bonds6

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

3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide (PubChem CID 25013308) has the molecular formula C16H13FIN3O4 and a molecular weight of 457.20 g/mol. Its IUPAC name is 3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
PubChem CID25013308
Molecular FormulaC16H13FIN3O4
Molecular Weight457.20 g/mol
Exact Mass456.99
IUPAC Name3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NOCCO)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C16H13FIN3O4/c17-11-7-9(18)1-2-12(11)20-14-10-8-19-4-3-13(10)25-15(14)16(23)21-24-6-5-22/h1-4,7-8,20,22H,5-6H2,(H,21,23)
InChIKeyLVHMCPRJISQGAK-UHFFFAOYSA-N
XLogP2.97
TPSA96.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.20
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

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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
N-pyridin-4-yl-1-benzofuran-2-carboxamide
CID 1370094
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
3-(2-fluorobenzamido)-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide
CID 16940323
3-(3,4-difluorobenzamido)-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide
CID 16940334
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)furo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide (CID 25013308) is 3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide is O=C(NOCCO)c1oc2ccncc2c1Nc1ccc(I)cc1F.
What is the InChIKey of 3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide?
The InChIKey is LVHMCPRJISQGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FIN3O4/c17-11-7-9(18)1-2-12(11)20-14-10-8-19-4-3-13(10)25-15(14)16(23)21-24-6-5-22/h1-4,7-8,20,22H,5-6H2,(H,21,23).
What are the key properties of 3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide?
3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide has a molecular weight of 457.20 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 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)furo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 25013308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).