ethyl 3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate

C20H16N2O3S — CID 2816111

IUPACethyl 3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2nc(-c3ccccc3)cc(-c3cccs3)c2c1N
InChIInChI=1S/C20H16N2O3S/c1-2-24-20(23)18-17(21)16-13(15-9-6-10-26-15)11-14(22-19(16)25-18)12-7-4-3-5-8-12/h3-11H,2,21H2,1H3
InChIKeyWFOYGQJCCSODBA-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.98
Rot. Bonds4

About ethyl 3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate

ethyl 3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate (PubChem CID 2816111) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is ethyl 3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate
PubChem CID2816111
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Nameethyl 3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2nc(-c3ccccc3)cc(-c3cccs3)c2c1N
InChIInChI=1S/C20H16N2O3S/c1-2-24-20(23)18-17(21)16-13(15-9-6-10-26-15)11-14(22-19(16)25-18)12-7-4-3-5-8-12/h3-11H,2,21H2,1H3
InChIKeyWFOYGQJCCSODBA-UHFFFAOYSA-N
XLogP4.98
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate (CID 2816111) is ethyl 3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1oc2nc(-c3ccccc3)cc(-c3cccs3)c2c1N.
What is the InChIKey of ethyl 3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate?
The InChIKey is WFOYGQJCCSODBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-2-24-20(23)18-17(21)16-13(15-9-6-10-26-15)11-14(22-19(16)25-18)12-7-4-3-5-8-12/h3-11H,2,21H2,1H3.
What are the key properties of ethyl 3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate?
ethyl 3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate has a molecular weight of 364.43 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 2816111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).