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

C20H27N3O3S — CID 54736233

IUPAC4-butyl-7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCCCCn1c(=O)c(C(=O)NC2CC3CCC(C2)N3C)c(O)c2sccc21
InChIInChI=1S/C20H27N3O3S/c1-3-4-8-23-15-7-9-27-18(15)17(24)16(20(23)26)19(25)21-12-10-13-5-6-14(11-12)22(13)2/h7,9,12-14,24H,3-6,8,10-11H2,1-2H3,(H,21,25)
InChIKeyDKXOXFLFPRJYBL-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.92
Rot. Bonds5

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

4-butyl-7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxothieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54736233) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 4-butyl-7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxothieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-butyl-7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxothieno[3,2-b]pyridine-6-carboxamide
PubChem CID54736233
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name4-butyl-7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCCCCn1c(=O)c(C(=O)NC2CC3CCC(C2)N3C)c(O)c2sccc21
InChIInChI=1S/C20H27N3O3S/c1-3-4-8-23-15-7-9-27-18(15)17(24)16(20(23)26)19(25)21-12-10-13-5-6-14(11-12)22(13)2/h7,9,12-14,24H,3-6,8,10-11H2,1-2H3,(H,21,25)
InChIKeyDKXOXFLFPRJYBL-UHFFFAOYSA-N
XLogP2.92
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-butyl-7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxothieno[3,2-b]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-butyl-7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 4-butyl-7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxothieno[3,2-b]pyridine-6-carboxamide (CID 54736233) is 4-butyl-7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxothieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 4-butyl-7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 4-butyl-7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxothieno[3,2-b]pyridine-6-carboxamide is CCCCn1c(=O)c(C(=O)NC2CC3CCC(C2)N3C)c(O)c2sccc21.
What is the InChIKey of 4-butyl-7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is DKXOXFLFPRJYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-3-4-8-23-15-7-9-27-18(15)17(24)16(20(23)26)19(25)21-12-10-13-5-6-14(11-12)22(13)2/h7,9,12-14,24H,3-6,8,10-11H2,1-2H3,(H,21,25).
What are the key properties of 4-butyl-7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxothieno[3,2-b]pyridine-6-carboxamide?
4-butyl-7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxothieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-7-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxothieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54736233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).