4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide

C9H8N2O3S — CID 70948680

IUPAC4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(O)c2cscc2[nH]c1=O
InChIInChI=1S/C9H8N2O3S/c1-10-8(13)6-7(12)4-2-15-3-5(4)11-9(6)14/h2-3,12H,1H3,(H,10,13)(H,11,14)
InChIKeyDHGBLLOXCMQBGE-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.65
Rot. Bonds1

About 4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide

4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide (PubChem CID 70948680) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide
PubChem CID70948680
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(O)c2cscc2[nH]c1=O
InChIInChI=1S/C9H8N2O3S/c1-10-8(13)6-7(12)4-2-15-3-5(4)11-9(6)14/h2-3,12H,1H3,(H,10,13)(H,11,14)
InChIKeyDHGBLLOXCMQBGE-UHFFFAOYSA-N
XLogP0.65
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide
CID 54742126
N-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide
CID 54742128
Thieno[3,4-B]pyridine-2,4-diol
CID 56604088
1,2-Dihydro-4-hydroxy-2-oxothieno[3,4-b]pyridine-3-carboxylic acid methyl ester
CID 57970146
N-(4-tert-butylcyclohexyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide
CID 58024644
Potassium 3-[3-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)propyl-deuteriocarbamoyl]-2-oxo-1-(1,1,1,2-tetradeuteriopropan-2-yl)thieno[3,4-b]pyridin-4-olate
CID 58119878
N-[3-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)propyl]-N-deuterio-4-hydroxy-2-oxo-1-(1,1,1,2-tetradeuteriopropan-2-yl)thieno[3,4-b]pyridine-3-carboxamide
CID 58119879
7-Hydroxy-5-oxo-4,5-dihydro-2-thia-4-aza-indene-6-carboxylic acid cyclohexylamide
CID 59702050
7-Hydroxy-5-oxo-4,5-dihydro-2-thia-4-aza-indene-6-carboxylic acid ethyl ester
CID 59702061
7-hydroxy-3,4-dimethyl-5-oxo-N-propan-2-ylthieno[3,2-b]pyridine-6-carboxamide
CID 67984165
7-Hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 68029332
4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylic acid
CID 68863065

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide?
The IUPAC name of 4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide (CID 70948680) is 4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide is CNC(=O)c1c(O)c2cscc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide?
The InChIKey is DHGBLLOXCMQBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c1-10-8(13)6-7(12)4-2-15-3-5(4)11-9(6)14/h2-3,12H,1H3,(H,10,13)(H,11,14).
What are the key properties of 4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide?
4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide has a molecular weight of 224.24 g/mol, XLogP of 0.65, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 70948680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).