3-cyano-6-(2-methoxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide

C12H13N3O3S — CID 173084272

IUPAC3-cyano-6-(2-methoxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide
SMILESCOCC(=O)N1CCc2c(C#N)csc2C1C(N)=O
InChIInChI=1S/C12H13N3O3S/c1-18-5-9(16)15-3-2-8-7(4-13)6-19-11(8)10(15)12(14)17/h6,10H,2-3,5H2,1H3,(H2,14,17)
InChIKeyGPFJXMPDZUBXPD-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.18
Rot. Bonds3

About 3-cyano-6-(2-methoxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide

3-cyano-6-(2-methoxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide (PubChem CID 173084272) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 3-cyano-6-(2-methoxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-cyano-6-(2-methoxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide
PubChem CID173084272
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name3-cyano-6-(2-methoxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide
SMILESCOCC(=O)N1CCc2c(C#N)csc2C1C(N)=O
InChIInChI=1S/C12H13N3O3S/c1-18-5-9(16)15-3-2-8-7(4-13)6-19-11(8)10(15)12(14)17/h6,10H,2-3,5H2,1H3,(H2,14,17)
InChIKeyGPFJXMPDZUBXPD-UHFFFAOYSA-N
XLogP0.18
TPSA96.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-6-(2-methoxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide?
The IUPAC name of 3-cyano-6-(2-methoxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide (CID 173084272) is 3-cyano-6-(2-methoxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide.
What is the SMILES notation for 3-cyano-6-(2-methoxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide?
The canonical SMILES for 3-cyano-6-(2-methoxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide is COCC(=O)N1CCc2c(C#N)csc2C1C(N)=O.
What is the InChIKey of 3-cyano-6-(2-methoxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide?
The InChIKey is GPFJXMPDZUBXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-18-5-9(16)15-3-2-8-7(4-13)6-19-11(8)10(15)12(14)17/h6,10H,2-3,5H2,1H3,(H2,14,17).
What are the key properties of 3-cyano-6-(2-methoxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide?
3-cyano-6-(2-methoxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide has a molecular weight of 279.32 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-6-(2-methoxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 173084272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).