7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide

C16H19N3O3S — CID 54723666

IUPAC7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1c(O)c3sccc3[nH]c1=O)C2
InChIInChI=1S/C16H19N3O3S/c1-19-9-2-3-10(19)7-8(6-9)17-15(21)12-13(20)14-11(4-5-23-14)18-16(12)22/h4-5,8-10H,2-3,6-7H2,1H3,(H,17,21)(H2,18,20,22)
InChIKeyXAZVHBPUCDXPDL-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.65
Rot. Bonds2

About 7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide

7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54723666) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
PubChem CID54723666
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1c(O)c3sccc3[nH]c1=O)C2
InChIInChI=1S/C16H19N3O3S/c1-19-9-2-3-10(19)7-8(6-9)17-15(21)12-13(20)14-11(4-5-23-14)18-16(12)22/h4-5,8-10H,2-3,6-7H2,1H3,(H,17,21)(H2,18,20,22)
InChIKeyXAZVHBPUCDXPDL-UHFFFAOYSA-N
XLogP1.65
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide (CID 54723666) is 7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide is CN1C2CCC1CC(NC(=O)c1c(O)c3sccc3[nH]c1=O)C2.
What is the InChIKey of 7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is XAZVHBPUCDXPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-19-9-2-3-10(19)7-8(6-9)17-15(21)12-13(20)14-11(4-5-23-14)18-16(12)22/h4-5,8-10H,2-3,6-7H2,1H3,(H,17,21)(H2,18,20,22).
What are the key properties of 7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54723666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).