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

C13H15N3O3S — CID 173084459

IUPAC3-cyano-6-(3-methoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide
SMILESCOCCC(=O)N1CCc2c(C#N)csc2C1C(N)=O
InChIInChI=1S/C13H15N3O3S/c1-19-5-3-10(17)16-4-2-9-8(6-14)7-20-12(9)11(16)13(15)18/h7,11H,2-5H2,1H3,(H2,15,18)
InChIKeySBRMJNJLESBEGP-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.57
Rot. Bonds4

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

3-cyano-6-(3-methoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide (PubChem CID 173084459) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-cyano-6-(3-methoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-cyano-6-(3-methoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide
PubChem CID173084459
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name3-cyano-6-(3-methoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide
SMILESCOCCC(=O)N1CCc2c(C#N)csc2C1C(N)=O
InChIInChI=1S/C13H15N3O3S/c1-19-5-3-10(17)16-4-2-9-8(6-14)7-20-12(9)11(16)13(15)18/h7,11H,2-5H2,1H3,(H2,15,18)
InChIKeySBRMJNJLESBEGP-UHFFFAOYSA-N
XLogP0.57
TPSA96.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-6-(3-methoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide?
The IUPAC name of 3-cyano-6-(3-methoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide (CID 173084459) is 3-cyano-6-(3-methoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide.
What is the SMILES notation for 3-cyano-6-(3-methoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide?
The canonical SMILES for 3-cyano-6-(3-methoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide is COCCC(=O)N1CCc2c(C#N)csc2C1C(N)=O.
What is the InChIKey of 3-cyano-6-(3-methoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide?
The InChIKey is SBRMJNJLESBEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-19-5-3-10(17)16-4-2-9-8(6-14)7-20-12(9)11(16)13(15)18/h7,11H,2-5H2,1H3,(H2,15,18).
What are the key properties of 3-cyano-6-(3-methoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide?
3-cyano-6-(3-methoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-6-(3-methoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 173084459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).