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

C15H14N2O3S — CID 91872812

IUPACethyl 3-amino-4-methyl-6-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2nc(-c3cccs3)cc(C)c2c1N
InChIInChI=1S/C15H14N2O3S/c1-3-19-15(18)13-12(16)11-8(2)7-9(17-14(11)20-13)10-5-4-6-21-10/h4-7H,3,16H2,1-2H3
InChIKeyCHXVHXULFHPCNC-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.62
Rot. Bonds3

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

ethyl 3-amino-4-methyl-6-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate (PubChem CID 91872812) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is ethyl 3-amino-4-methyl-6-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-methyl-6-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate
PubChem CID91872812
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Nameethyl 3-amino-4-methyl-6-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2nc(-c3cccs3)cc(C)c2c1N
InChIInChI=1S/C15H14N2O3S/c1-3-19-15(18)13-12(16)11-8(2)7-9(17-14(11)20-13)10-5-4-6-21-10/h4-7H,3,16H2,1-2H3
InChIKeyCHXVHXULFHPCNC-UHFFFAOYSA-N
XLogP3.62
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate
CID 2816111
ethyl 3-amino-6-(4-chlorophenyl)-4-methylfuro[2,3-b]pyridine-2-carboxylate
CID 91872822
3-amino-4-(furan-2-yl)-6-thiophen-2-ylfuro[2,3-b]pyridine-2-carbohydrazide
CID 2816503
ethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate
CID 104842657
ethyl 4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 22009789
ethyl 2-bromo-3-hydroxy-6-thiophen-2-ylpyridine-4-carboxylate
CID 87562816
ethyl N-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]carbamate
CID 46808868
ethyl 3-amino-8-(furan-2-yl)-5-oxa-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraene-4-carboxylate
CID 139237019
ethyl 1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 43021003
[3-amino-4-(furan-2-yl)-6-thiophen-2-ylfuro[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone
CID 2817133
ethyl 3-amino-6-(4-bromophenyl)-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate
CID 5140172
[2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 16581844

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-methyl-6-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-4-methyl-6-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate (CID 91872812) is ethyl 3-amino-4-methyl-6-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-methyl-6-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-4-methyl-6-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1oc2nc(-c3cccs3)cc(C)c2c1N.
What is the InChIKey of ethyl 3-amino-4-methyl-6-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate?
The InChIKey is CHXVHXULFHPCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-3-19-15(18)13-12(16)11-8(2)7-9(17-14(11)20-13)10-5-4-6-21-10/h4-7H,3,16H2,1-2H3.
What are the key properties of ethyl 3-amino-4-methyl-6-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate?
ethyl 3-amino-4-methyl-6-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate has a molecular weight of 302.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-methyl-6-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 91872812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).