6-acetyl-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C16H18N4O5S — CID 3635174

IUPAC6-acetyl-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)CCC3=O)c2C(N)=O)C1
InChIInChI=1S/C16H18N4O5S/c1-8(21)19-5-4-9-10(6-19)26-16(14(9)15(17)25)18-11(22)7-20-12(23)2-3-13(20)24/h2-7H2,1H3,(H2,17,25)(H,18,22)
InChIKeyMHESQHZMIFMMQM-UHFFFAOYSA-N
MW378.41 g/mol
LogP-0.16
Rot. Bonds4

About 6-acetyl-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-acetyl-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 3635174) has the molecular formula C16H18N4O5S and a molecular weight of 378.41 g/mol. Its IUPAC name is 6-acetyl-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-acetyl-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID3635174
Molecular FormulaC16H18N4O5S
Molecular Weight378.41 g/mol
Exact Mass378.10
IUPAC Name6-acetyl-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)CCC3=O)c2C(N)=O)C1
InChIInChI=1S/C16H18N4O5S/c1-8(21)19-5-4-9-10(6-19)26-16(14(9)15(17)25)18-11(22)7-20-12(23)2-3-13(20)24/h2-7H2,1H3,(H2,17,25)(H,18,22)
InChIKeyMHESQHZMIFMMQM-UHFFFAOYSA-N
XLogP-0.16
TPSA129.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-acetyl-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 3635174) is 6-acetyl-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-acetyl-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-acetyl-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)CCC3=O)c2C(N)=O)C1.
What is the InChIKey of 6-acetyl-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is MHESQHZMIFMMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5S/c1-8(21)19-5-4-9-10(6-19)26-16(14(9)15(17)25)18-11(22)7-20-12(23)2-3-13(20)24/h2-7H2,1H3,(H2,17,25)(H,18,22).
What are the key properties of 6-acetyl-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-acetyl-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 378.41 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 3635174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).