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

C9H8N2O2S — CID 54219356

IUPACN-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1c[nH]c2sccc2c1=O
InChIInChI=1S/C9H8N2O2S/c1-10-8(13)6-4-11-9-5(7(6)12)2-3-14-9/h2-4H,1H3,(H,10,13)(H,11,12)
InChIKeyQBLLKQSAHDYBSI-UHFFFAOYSA-N
MW208.24 g/mol
LogP0.95
Rot. Bonds1

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

N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide (PubChem CID 54219356) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide
PubChem CID54219356
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC NameN-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1c[nH]c2sccc2c1=O
InChIInChI=1S/C9H8N2O2S/c1-10-8(13)6-4-11-9-5(7(6)12)2-3-14-9/h2-4H,1H3,(H,10,13)(H,11,12)
InChIKeyQBLLKQSAHDYBSI-UHFFFAOYSA-N
XLogP0.95
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide (CID 54219356) is N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide is CNC(=O)c1c[nH]c2sccc2c1=O.
What is the InChIKey of N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide?
The InChIKey is QBLLKQSAHDYBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-10-8(13)6-4-11-9-5(7(6)12)2-3-14-9/h2-4H,1H3,(H,10,13)(H,11,12).
What are the key properties of N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide?
N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide has a molecular weight of 208.24 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 54219356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).