7-hydroxy-4-methyl-5-oxo-N-(2-oxoethyl)thieno[3,2-b]pyridine-6-carboxamide

C11H10N2O4S — CID 89227037

IUPAC7-hydroxy-4-methyl-5-oxo-N-(2-oxoethyl)thieno[3,2-b]pyridine-6-carboxamide
SMILESCn1c(=O)c(C(=O)NCC=O)c(O)c2sccc21
InChIInChI=1S/C11H10N2O4S/c1-13-6-2-5-18-9(6)8(15)7(11(13)17)10(16)12-3-4-14/h2,4-5,15H,3H2,1H3,(H,12,16)
InChIKeyVVHUMOMGFUKPHA-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.23
Rot. Bonds3

About 7-hydroxy-4-methyl-5-oxo-N-(2-oxoethyl)thieno[3,2-b]pyridine-6-carboxamide

7-hydroxy-4-methyl-5-oxo-N-(2-oxoethyl)thieno[3,2-b]pyridine-6-carboxamide (PubChem CID 89227037) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is 7-hydroxy-4-methyl-5-oxo-N-(2-oxoethyl)thieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name7-hydroxy-4-methyl-5-oxo-N-(2-oxoethyl)thieno[3,2-b]pyridine-6-carboxamide
PubChem CID89227037
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Name7-hydroxy-4-methyl-5-oxo-N-(2-oxoethyl)thieno[3,2-b]pyridine-6-carboxamide
SMILESCn1c(=O)c(C(=O)NCC=O)c(O)c2sccc21
InChIInChI=1S/C11H10N2O4S/c1-13-6-2-5-18-9(6)8(15)7(11(13)17)10(16)12-3-4-14/h2,4-5,15H,3H2,1H3,(H,12,16)
InChIKeyVVHUMOMGFUKPHA-UHFFFAOYSA-N
XLogP0.23
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-methyl-5-oxo-N-(2-oxoethyl)thieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 7-hydroxy-4-methyl-5-oxo-N-(2-oxoethyl)thieno[3,2-b]pyridine-6-carboxamide (CID 89227037) is 7-hydroxy-4-methyl-5-oxo-N-(2-oxoethyl)thieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 7-hydroxy-4-methyl-5-oxo-N-(2-oxoethyl)thieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 7-hydroxy-4-methyl-5-oxo-N-(2-oxoethyl)thieno[3,2-b]pyridine-6-carboxamide is Cn1c(=O)c(C(=O)NCC=O)c(O)c2sccc21.
What is the InChIKey of 7-hydroxy-4-methyl-5-oxo-N-(2-oxoethyl)thieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is VVHUMOMGFUKPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c1-13-6-2-5-18-9(6)8(15)7(11(13)17)10(16)12-3-4-14/h2,4-5,15H,3H2,1H3,(H,12,16).
What are the key properties of 7-hydroxy-4-methyl-5-oxo-N-(2-oxoethyl)thieno[3,2-b]pyridine-6-carboxamide?
7-hydroxy-4-methyl-5-oxo-N-(2-oxoethyl)thieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 266.28 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-methyl-5-oxo-N-(2-oxoethyl)thieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 89227037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).