ethane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide

C11H14N2O2S — CID 91589687

IUPACethane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide
SMILESCC.CNC(=O)c1c[nH]c2sccc2c1=O
InChIInChI=1S/C9H8N2O2S.C2H6/c1-10-8(13)6-4-11-9-5(7(6)12)2-3-14-9;1-2/h2-4H,1H3,(H,10,13)(H,11,12);1-2H3
InChIKeyKARXHKKWDDCMHU-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.98
Rot. Bonds1

About ethane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide

ethane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide (PubChem CID 91589687) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is ethane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Nameethane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide
PubChem CID91589687
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Nameethane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide
SMILESCC.CNC(=O)c1c[nH]c2sccc2c1=O
InChIInChI=1S/C9H8N2O2S.C2H6/c1-10-8(13)6-4-11-9-5(7(6)12)2-3-14-9;1-2/h2-4H,1H3,(H,10,13)(H,11,12);1-2H3
InChIKeyKARXHKKWDDCMHU-UHFFFAOYSA-N
XLogP1.98
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide?
The IUPAC name of ethane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide (CID 91589687) is ethane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for ethane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for ethane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide is CC.CNC(=O)c1c[nH]c2sccc2c1=O.
What is the InChIKey of ethane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide?
The InChIKey is KARXHKKWDDCMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S.C2H6/c1-10-8(13)6-4-11-9-5(7(6)12)2-3-14-9;1-2/h2-4H,1H3,(H,10,13)(H,11,12);1-2H3.
What are the key properties of ethane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide?
ethane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide has a molecular weight of 238.31 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 91589687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).