6-(4-aminobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

C12H15N3OS — CID 141131357

IUPAC6-(4-aminobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1csc2c1CCN(C(=O)CCCN)C2
InChIInChI=1S/C12H15N3OS/c13-4-1-2-12(16)15-5-3-10-9(6-14)8-17-11(10)7-15/h8H,1-5,7,13H2
InChIKeyXSMNATSSQKWXLV-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.24
Rot. Bonds3

About 6-(4-aminobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

6-(4-aminobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 141131357) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 6-(4-aminobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-aminobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
PubChem CID141131357
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name6-(4-aminobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1csc2c1CCN(C(=O)CCCN)C2
InChIInChI=1S/C12H15N3OS/c13-4-1-2-12(16)15-5-3-10-9(6-14)8-17-11(10)7-15/h8H,1-5,7,13H2
InChIKeyXSMNATSSQKWXLV-UHFFFAOYSA-N
XLogP1.24
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-acetyl-2-amino-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carbonitrile
CID 42281672
4-amino-1-(4H,5H,6H,7H-thieno(3,2-c)pyridin-5-yl)butan-1-one hydrochloride
CID 119030925
2-amino-6-(3-sulfanylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 177681082
4-Amino-1-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}butan-1-one
CID 24690104
3-Cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide
CID 68988136
4,5,6,7-Tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 90259820
4,5,6,7-Tetrahydrothieno[3,2-c]pyridine-3-carbonitrile
CID 131366947
2-[3-(3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-3-oxopropyl]guanidine
CID 141131372
ethyl 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 141131373
6-(4-hydroxybutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 141131379
6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 141131385
S-ethyl 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate
CID 142686741

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 6-(4-aminobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (CID 141131357) is 6-(4-aminobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-aminobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-aminobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is N#Cc1csc2c1CCN(C(=O)CCCN)C2.
What is the InChIKey of 6-(4-aminobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is XSMNATSSQKWXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c13-4-1-2-12(16)15-5-3-10-9(6-14)8-17-11(10)7-15/h8H,1-5,7,13H2.
What are the key properties of 6-(4-aminobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
6-(4-aminobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 249.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 141131357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).