ethyl 3-cyano-2-[[2-(diethylamino)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

C17H24N4O3S — CID 2816595

IUPACethyl 3-cyano-2-[[2-(diethylamino)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCCOC(=O)N1CCc2c(sc(NC(=O)CN(CC)CC)c2C#N)C1
InChIInChI=1S/C17H24N4O3S/c1-4-20(5-2)11-15(22)19-16-13(9-18)12-7-8-21(10-14(12)25-16)17(23)24-6-3/h4-8,10-11H2,1-3H3,(H,19,22)
InChIKeyNQEULCLXETYICM-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.41
Rot. Bonds6

About ethyl 3-cyano-2-[[2-(diethylamino)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

ethyl 3-cyano-2-[[2-(diethylamino)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 2816595) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is ethyl 3-cyano-2-[[2-(diethylamino)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-2-[[2-(diethylamino)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
PubChem CID2816595
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Nameethyl 3-cyano-2-[[2-(diethylamino)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCCOC(=O)N1CCc2c(sc(NC(=O)CN(CC)CC)c2C#N)C1
InChIInChI=1S/C17H24N4O3S/c1-4-20(5-2)11-15(22)19-16-13(9-18)12-7-8-21(10-14(12)25-16)17(23)24-6-3/h4-8,10-11H2,1-3H3,(H,19,22)
InChIKeyNQEULCLXETYICM-UHFFFAOYSA-N
XLogP2.41
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-cyano-2-[[2-(diethylamino)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate with MolForge

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Related Compounds

ethyl 3-cyano-2-[(4-morpholinylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate
CID 2816594
ethyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate
CID 2816609
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 2998024
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 8031105
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-piperidin-1-ylacetamide
CID 701963
N-(3-cyano-4,5-dimethyl-2-thienyl)-2-morpholinoacetamide
CID 2816626
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(morpholin-4-yl)acetamide
CID 826287
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 727674
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 17583897
N-[3-cyano-6-(propan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide
CID 919219
tert-butyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate
CID 2763861
N-(6-acetyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)isobutyramide
CID 4647918

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-2-[[2-(diethylamino)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The IUPAC name of ethyl 3-cyano-2-[[2-(diethylamino)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (CID 2816595) is ethyl 3-cyano-2-[[2-(diethylamino)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 3-cyano-2-[[2-(diethylamino)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for ethyl 3-cyano-2-[[2-(diethylamino)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is CCOC(=O)N1CCc2c(sc(NC(=O)CN(CC)CC)c2C#N)C1.
What is the InChIKey of ethyl 3-cyano-2-[[2-(diethylamino)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The InChIKey is NQEULCLXETYICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-4-20(5-2)11-15(22)19-16-13(9-18)12-7-8-21(10-14(12)25-16)17(23)24-6-3/h4-8,10-11H2,1-3H3,(H,19,22).
What are the key properties of ethyl 3-cyano-2-[[2-(diethylamino)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
ethyl 3-cyano-2-[[2-(diethylamino)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 364.47 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-2-[[2-(diethylamino)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 2816595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).