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

C17H15FIN3O3 — CID 25012017

IUPAC3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide
SMILESCN(CCO)C(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C17H15FIN3O3/c1-22(6-7-23)17(24)16-15(11-9-20-5-4-14(11)25-16)21-13-3-2-10(19)8-12(13)18/h2-5,8-9,21,23H,6-7H2,1H3
InChIKeyYMADAVCDGOMXEO-UHFFFAOYSA-N
MW455.23 g/mol
LogP3.38
Rot. Bonds5

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

3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide (PubChem CID 25012017) has the molecular formula C17H15FIN3O3 and a molecular weight of 455.23 g/mol. Its IUPAC name is 3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide
PubChem CID25012017
Molecular FormulaC17H15FIN3O3
Molecular Weight455.23 g/mol
Exact Mass455.01
IUPAC Name3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide
SMILESCN(CCO)C(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C17H15FIN3O3/c1-22(6-7-23)17(24)16-15(11-9-20-5-4-14(11)25-16)21-13-3-2-10(19)8-12(13)18/h2-5,8-9,21,23H,6-7H2,1H3
InChIKeyYMADAVCDGOMXEO-UHFFFAOYSA-N
XLogP3.38
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.23
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
2-Ethyl-7-methoxyfuro[2,3-c]pyridine-4-carboxylic acid (2,6-difluorophenyl)amide
CID 44365329
5-[[3-(1-Benzofuran-2-carbonylamino)phenyl]methoxy]pyridine-3-carboxamide
CID 124156875
N-(6-methoxypyridin-3-yl)-1-benzofuran-2-carboxamide
CID 1503572
3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
CID 648777
N-ethyl-N-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide
CID 71462281
N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide
CID 4825824
N-pyridin-4-yl-1-benzofuran-2-carboxamide
CID 1370094
2(1H)-Pyridinone, 5-ethyl-3-((furo(3,2-c)pyridin-2-ylmethyl)amino)-6-methyl-
CID 454400
13-(Dimethylamino)-5-(4-ethylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 11652895

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide (CID 25012017) is 3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide is CN(CCO)C(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F.
What is the InChIKey of 3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide?
The InChIKey is YMADAVCDGOMXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FIN3O3/c1-22(6-7-23)17(24)16-15(11-9-20-5-4-14(11)25-16)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-hydroxyethyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide?
3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide has a molecular weight of 455.23 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 25012017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).