3-hydroxy-N-methylthieno[2,3-b]pyridine-2-carboxamide

C9H8N2O2S — CID 54710086

IUPAC3-hydroxy-N-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2ncccc2c1O
InChIInChI=1S/C9H8N2O2S/c1-10-8(13)7-6(12)5-3-2-4-11-9(5)14-7/h2-4,12H,1H3,(H,10,13)
InChIKeyWKHVEIAEIKGVCC-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.36
Rot. Bonds1

About 3-hydroxy-N-methylthieno[2,3-b]pyridine-2-carboxamide

3-hydroxy-N-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 54710086) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 3-hydroxy-N-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID54710086
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name3-hydroxy-N-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2ncccc2c1O
InChIInChI=1S/C9H8N2O2S/c1-10-8(13)7-6(12)5-3-2-4-11-9(5)14-7/h2-4,12H,1H3,(H,10,13)
InChIKeyWKHVEIAEIKGVCC-UHFFFAOYSA-N
XLogP1.36
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-methylthieno[2,3-b]pyridine-2-carboxamide (CID 54710086) is 3-hydroxy-N-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-methylthieno[2,3-b]pyridine-2-carboxamide is CNC(=O)c1sc2ncccc2c1O.
What is the InChIKey of 3-hydroxy-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is WKHVEIAEIKGVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-10-8(13)7-6(12)5-3-2-4-11-9(5)14-7/h2-4,12H,1H3,(H,10,13).
What are the key properties of 3-hydroxy-N-methylthieno[2,3-b]pyridine-2-carboxamide?
3-hydroxy-N-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 208.24 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 54710086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).