1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-6-oxopyridine-3-carbonitrile

C17H17N3O2S — CID 136548222

IUPAC1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-6-oxopyridine-3-carbonitrile
SMILESCCC1c2ccsc2CCN1C(=O)Cn1cc(C#N)ccc1=O
InChIInChI=1S/C17H17N3O2S/c1-2-14-13-6-8-23-15(13)5-7-20(14)17(22)11-19-10-12(9-18)3-4-16(19)21/h3-4,6,8,10,14H,2,5,7,11H2,1H3
InChIKeyQDTSILKVPBJBJF-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.32
Rot. Bonds3

About 1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-6-oxopyridine-3-carbonitrile

1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-6-oxopyridine-3-carbonitrile (PubChem CID 136548222) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-6-oxopyridine-3-carbonitrile
PubChem CID136548222
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-6-oxopyridine-3-carbonitrile
SMILESCCC1c2ccsc2CCN1C(=O)Cn1cc(C#N)ccc1=O
InChIInChI=1S/C17H17N3O2S/c1-2-14-13-6-8-23-15(13)5-7-20(14)17(22)11-19-10-12(9-18)3-4-16(19)21/h3-4,6,8,10,14H,2,5,7,11H2,1H3
InChIKeyQDTSILKVPBJBJF-UHFFFAOYSA-N
XLogP2.32
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]imidazole-4,5-dicarbonitrile
CID 86794613
2-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 126766696
6-[[2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-methylamino]pyridine-3-carbonitrile
CID 95580804
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119731903
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294012
(2R)-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119914171
2-[1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-4-yl]acetamide
CID 102556105
2-(tert-butylamino)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 112723931
3-[2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 99844073
3-[3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-4-methyl-1,3-thiazol-2-one
CID 56810240
3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-8-methylquinazolin-4-one
CID 51270851
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-methoxyethoxy)ethanone
CID 103606773

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-6-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-6-oxopyridine-3-carbonitrile (CID 136548222) is 1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-6-oxopyridine-3-carbonitrile is CCC1c2ccsc2CCN1C(=O)Cn1cc(C#N)ccc1=O.
What is the InChIKey of 1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-6-oxopyridine-3-carbonitrile?
The InChIKey is QDTSILKVPBJBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-2-14-13-6-8-23-15(13)5-7-20(14)17(22)11-19-10-12(9-18)3-4-16(19)21/h3-4,6,8,10,14H,2,5,7,11H2,1H3.
What are the key properties of 1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-6-oxopyridine-3-carbonitrile?
1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-6-oxopyridine-3-carbonitrile has a molecular weight of 327.41 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 136548222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).