4-hydroxy-N,3,7-trimethyl-6-oxo-N-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-5-carboxamide

C20H22N2O3S — CID 69065667

IUPAC4-hydroxy-N,3,7-trimethyl-6-oxo-N-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-5-carboxamide
SMILESCc1csc2c1c(O)c(C(=O)N(C)c1ccc(C(C)C)cc1)c(=O)n2C
InChIInChI=1S/C20H22N2O3S/c1-11(2)13-6-8-14(9-7-13)21(4)18(24)16-17(23)15-12(3)10-26-20(15)22(5)19(16)25/h6-11,23H,1-5H3
InChIKeyONGGBIXPUPJCPR-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.01
Rot. Bonds3

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

4-hydroxy-N,3,7-trimethyl-6-oxo-N-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-5-carboxamide (PubChem CID 69065667) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 4-hydroxy-N,3,7-trimethyl-6-oxo-N-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N,3,7-trimethyl-6-oxo-N-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-5-carboxamide
PubChem CID69065667
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name4-hydroxy-N,3,7-trimethyl-6-oxo-N-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-5-carboxamide
SMILESCc1csc2c1c(O)c(C(=O)N(C)c1ccc(C(C)C)cc1)c(=O)n2C
InChIInChI=1S/C20H22N2O3S/c1-11(2)13-6-8-14(9-7-13)21(4)18(24)16-17(23)15-12(3)10-26-20(15)22(5)19(16)25/h6-11,23H,1-5H3
InChIKeyONGGBIXPUPJCPR-UHFFFAOYSA-N
XLogP4.01
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,3,7-trimethyl-6-oxo-N-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-hydroxy-N,3,7-trimethyl-6-oxo-N-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-5-carboxamide (CID 69065667) is 4-hydroxy-N,3,7-trimethyl-6-oxo-N-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-hydroxy-N,3,7-trimethyl-6-oxo-N-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-hydroxy-N,3,7-trimethyl-6-oxo-N-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-5-carboxamide is Cc1csc2c1c(O)c(C(=O)N(C)c1ccc(C(C)C)cc1)c(=O)n2C.
What is the InChIKey of 4-hydroxy-N,3,7-trimethyl-6-oxo-N-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-5-carboxamide?
The InChIKey is ONGGBIXPUPJCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-11(2)13-6-8-14(9-7-13)21(4)18(24)16-17(23)15-12(3)10-26-20(15)22(5)19(16)25/h6-11,23H,1-5H3.
What are the key properties of 4-hydroxy-N,3,7-trimethyl-6-oxo-N-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-5-carboxamide?
4-hydroxy-N,3,7-trimethyl-6-oxo-N-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-5-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,3,7-trimethyl-6-oxo-N-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 69065667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).