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

C12H13N3O3S — CID 173084769

IUPAC3-cyano-6-(3-hydroxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide
SMILESN#Cc1csc2c1CCN(C(=O)CCO)C2C(N)=O
InChIInChI=1S/C12H13N3O3S/c13-5-7-6-19-11-8(7)1-3-15(9(17)2-4-16)10(11)12(14)18/h6,10,16H,1-4H2,(H2,14,18)
InChIKeyXNWYRHBKIHLIQI-UHFFFAOYSA-N
MW279.32 g/mol
LogP-0.09
Rot. Bonds3

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

3-cyano-6-(3-hydroxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide (PubChem CID 173084769) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 3-cyano-6-(3-hydroxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-cyano-6-(3-hydroxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide
PubChem CID173084769
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name3-cyano-6-(3-hydroxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide
SMILESN#Cc1csc2c1CCN(C(=O)CCO)C2C(N)=O
InChIInChI=1S/C12H13N3O3S/c13-5-7-6-19-11-8(7)1-3-15(9(17)2-4-16)10(11)12(14)18/h6,10,16H,1-4H2,(H2,14,18)
InChIKeyXNWYRHBKIHLIQI-UHFFFAOYSA-N
XLogP-0.09
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-6-(3-hydroxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide?
The IUPAC name of 3-cyano-6-(3-hydroxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide (CID 173084769) is 3-cyano-6-(3-hydroxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide.
What is the SMILES notation for 3-cyano-6-(3-hydroxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide?
The canonical SMILES for 3-cyano-6-(3-hydroxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide is N#Cc1csc2c1CCN(C(=O)CCO)C2C(N)=O.
What is the InChIKey of 3-cyano-6-(3-hydroxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide?
The InChIKey is XNWYRHBKIHLIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c13-5-7-6-19-11-8(7)1-3-15(9(17)2-4-16)10(11)12(14)18/h6,10,16H,1-4H2,(H2,14,18).
What are the key properties of 3-cyano-6-(3-hydroxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide?
3-cyano-6-(3-hydroxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide has a molecular weight of 279.32 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-6-(3-hydroxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 173084769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).