3-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide

C16H13BrFN3O4 — CID 25013474

IUPAC3-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NOCCO)c1oc2ccncc2c1Nc1ccc(Br)cc1F
InChIInChI=1S/C16H13BrFN3O4/c17-9-1-2-12(11(18)7-9)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)
InChIKeyDWVXICZRQULBNA-UHFFFAOYSA-N
MW410.20 g/mol
LogP3.13
Rot. Bonds6

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

3-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide (PubChem CID 25013474) has the molecular formula C16H13BrFN3O4 and a molecular weight of 410.20 g/mol. Its IUPAC name is 3-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
PubChem CID25013474
Molecular FormulaC16H13BrFN3O4
Molecular Weight410.20 g/mol
Exact Mass409.01
IUPAC Name3-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NOCCO)c1oc2ccncc2c1Nc1ccc(Br)cc1F
InChIInChI=1S/C16H13BrFN3O4/c17-9-1-2-12(11(18)7-9)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)
InChIKeyDWVXICZRQULBNA-UHFFFAOYSA-N
XLogP3.13
TPSA96.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.20
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,5-difluoro-4-iodoanilino)-N-(3-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide
CID 88885981
3-(2-chloro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
CID 59704653
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide
CID 143636209
3-(2-fluoro-4-iodoanilino)-N-phenylmethoxyfuro[3,2-c]pyridine-2-carboxamide
CID 25013801
3-(2-fluoro-4-iodoanilino)-2-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2,7-dicarboxamide
CID 59704749
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)furo[3,2-c]pyridine-2-carboxamide
CID 143636022
3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylic acid
CID 151410687
N-(azetidin-3-yloxy)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
CID 25013799
4-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)-[1,2]thiazolo[5,4-c]pyridine-5-carboxamide
CID 88913019
ethane;3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;2-methylpropane-1,2-diol
CID 143636167
3-(4-ethynyl-2-fluoroanilino)furo[3,2-c]pyridine-2-carboxamide;propane-1,3-diol
CID 143636140
N-(2,3-dihydroxypropyl)-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;ethane
CID 143636219

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide (CID 25013474) is 3-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide is O=C(NOCCO)c1oc2ccncc2c1Nc1ccc(Br)cc1F.
What is the InChIKey of 3-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide?
The InChIKey is DWVXICZRQULBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3O4/c17-9-1-2-12(11(18)7-9)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-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide?
3-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide has a molecular weight of 410.20 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 25013474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).