ethane;N-ethyl-7-hydroxy-4-methoxy-5-oxothieno[3,2-b]pyridine-6-carboxamide;formic acid

C14H20N2O6S — CID 144658133

IUPACethane;N-ethyl-7-hydroxy-4-methoxy-5-oxothieno[3,2-b]pyridine-6-carboxamide;formic acid
SMILESCC.CCNC(=O)c1c(O)c2sccc2n(OC)c1=O.O=CO
InChIInChI=1S/C11H12N2O4S.C2H6.CH2O2/c1-3-12-10(15)7-8(14)9-6(4-5-18-9)13(17-2)11(7)16;1-2;2-1-3/h4-5,14H,3H2,1-2H3,(H,12,15);1-2H3;1H,(H,2,3)
InChIKeyJIADEYJXZGWMSW-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.30
Rot. Bonds3

About ethane;N-ethyl-7-hydroxy-4-methoxy-5-oxothieno[3,2-b]pyridine-6-carboxamide;formic acid

ethane;N-ethyl-7-hydroxy-4-methoxy-5-oxothieno[3,2-b]pyridine-6-carboxamide;formic acid (PubChem CID 144658133) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is ethane;N-ethyl-7-hydroxy-4-methoxy-5-oxothieno[3,2-b]pyridine-6-carboxamide;formic acid.

Molecular Properties

Compound Nameethane;N-ethyl-7-hydroxy-4-methoxy-5-oxothieno[3,2-b]pyridine-6-carboxamide;formic acid
PubChem CID144658133
Molecular FormulaC14H20N2O6S
Molecular Weight344.39 g/mol
Exact Mass344.10
IUPAC Nameethane;N-ethyl-7-hydroxy-4-methoxy-5-oxothieno[3,2-b]pyridine-6-carboxamide;formic acid
SMILESCC.CCNC(=O)c1c(O)c2sccc2n(OC)c1=O.O=CO
InChIInChI=1S/C11H12N2O4S.C2H6.CH2O2/c1-3-12-10(15)7-8(14)9-6(4-5-18-9)13(17-2)11(7)16;1-2;2-1-3/h4-5,14H,3H2,1-2H3,(H,12,15);1-2H3;1H,(H,2,3)
InChIKeyJIADEYJXZGWMSW-UHFFFAOYSA-N
XLogP1.30
TPSA117.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-7-hydroxy-4-methoxy-5-oxothieno[3,2-b]pyridine-6-carboxamide;formic acid?
The IUPAC name of ethane;N-ethyl-7-hydroxy-4-methoxy-5-oxothieno[3,2-b]pyridine-6-carboxamide;formic acid (CID 144658133) is ethane;N-ethyl-7-hydroxy-4-methoxy-5-oxothieno[3,2-b]pyridine-6-carboxamide;formic acid.
What is the SMILES notation for ethane;N-ethyl-7-hydroxy-4-methoxy-5-oxothieno[3,2-b]pyridine-6-carboxamide;formic acid?
The canonical SMILES for ethane;N-ethyl-7-hydroxy-4-methoxy-5-oxothieno[3,2-b]pyridine-6-carboxamide;formic acid is CC.CCNC(=O)c1c(O)c2sccc2n(OC)c1=O.O=CO.
What is the InChIKey of ethane;N-ethyl-7-hydroxy-4-methoxy-5-oxothieno[3,2-b]pyridine-6-carboxamide;formic acid?
The InChIKey is JIADEYJXZGWMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S.C2H6.CH2O2/c1-3-12-10(15)7-8(14)9-6(4-5-18-9)13(17-2)11(7)16;1-2;2-1-3/h4-5,14H,3H2,1-2H3,(H,12,15);1-2H3;1H,(H,2,3).
What are the key properties of ethane;N-ethyl-7-hydroxy-4-methoxy-5-oxothieno[3,2-b]pyridine-6-carboxamide;formic acid?
ethane;N-ethyl-7-hydroxy-4-methoxy-5-oxothieno[3,2-b]pyridine-6-carboxamide;formic acid has a molecular weight of 344.39 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-7-hydroxy-4-methoxy-5-oxothieno[3,2-b]pyridine-6-carboxamide;formic acid is sourced from PubChem (CID 144658133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).