N-(2,5-diethoxyphenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide

C18H18N2O5S — CID 54734405

IUPACN-(2,5-diethoxyphenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2c(O)c3sccc3[nH]c2=O)c1
InChIInChI=1S/C18H18N2O5S/c1-3-24-10-5-6-13(25-4-2)12(9-10)20-18(23)14-15(21)16-11(7-8-26-16)19-17(14)22/h5-9H,3-4H2,1-2H3,(H,20,23)(H2,19,21,22)
InChIKeyMXFKPXLMOWCTHR-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.34
Rot. Bonds6

About N-(2,5-diethoxyphenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide

N-(2,5-diethoxyphenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54734405) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
PubChem CID54734405
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC NameN-(2,5-diethoxyphenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2c(O)c3sccc3[nH]c2=O)c1
InChIInChI=1S/C18H18N2O5S/c1-3-24-10-5-6-13(25-4-2)12(9-10)20-18(23)14-15(21)16-11(7-8-26-16)19-17(14)22/h5-9H,3-4H2,1-2H3,(H,20,23)(H2,19,21,22)
InChIKeyMXFKPXLMOWCTHR-UHFFFAOYSA-N
XLogP3.34
TPSA100.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(2,5-diethoxyphenyl)-7-hydroxy-5-oxo-4H-thieno[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 N-(2,5-diethoxyphenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide (CID 54734405) is N-(2,5-diethoxyphenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide is CCOc1ccc(OCC)c(NC(=O)c2c(O)c3sccc3[nH]c2=O)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is MXFKPXLMOWCTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-3-24-10-5-6-13(25-4-2)12(9-10)20-18(23)14-15(21)16-11(7-8-26-16)19-17(14)22/h5-9H,3-4H2,1-2H3,(H,20,23)(H2,19,21,22).
What are the key properties of N-(2,5-diethoxyphenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
N-(2,5-diethoxyphenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54734405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).