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

C11H11N3O3S — CID 173084260

IUPAC3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide
SMILESN#Cc1csc2c1CCN(C(=O)CO)C2C(N)=O
InChIInChI=1S/C11H11N3O3S/c12-3-6-5-18-10-7(6)1-2-14(8(16)4-15)9(10)11(13)17/h5,9,15H,1-2,4H2,(H2,13,17)
InChIKeyVETSBRFUXPFMOS-UHFFFAOYSA-N
MW265.29 g/mol
LogP-0.48
Rot. Bonds2

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

3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide (PubChem CID 173084260) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide
PubChem CID173084260
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide
SMILESN#Cc1csc2c1CCN(C(=O)CO)C2C(N)=O
InChIInChI=1S/C11H11N3O3S/c12-3-6-5-18-10-7(6)1-2-14(8(16)4-15)9(10)11(13)17/h5,9,15H,1-2,4H2,(H2,13,17)
InChIKeyVETSBRFUXPFMOS-UHFFFAOYSA-N
XLogP-0.48
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 141131385
3-cyano-6-(2-methoxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide
CID 173084272
3-Cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxamide
CID 173084348
3-cyano-6-(3-methoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide
CID 173084459
3-cyano-6-(3-hydroxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide
CID 173084769

Frequently Asked Questions

What is the IUPAC name of 3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide?
The IUPAC name of 3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide (CID 173084260) is 3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide.
What is the SMILES notation for 3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide?
The canonical SMILES for 3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide is N#Cc1csc2c1CCN(C(=O)CO)C2C(N)=O.
What is the InChIKey of 3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide?
The InChIKey is VETSBRFUXPFMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c12-3-6-5-18-10-7(6)1-2-14(8(16)4-15)9(10)11(13)17/h5,9,15H,1-2,4H2,(H2,13,17).
What are the key properties of 3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide?
3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide has a molecular weight of 265.29 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 173084260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).