4-benzyl-7-hydroxy-5-oxo-N-phenylthieno[3,2-b]pyridine-6-carboxamide

C21H16N2O3S — CID 54728186

IUPAC4-benzyl-7-hydroxy-5-oxo-N-phenylthieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(Nc1ccccc1)c1c(O)c2sccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C21H16N2O3S/c24-18-17(20(25)22-15-9-5-2-6-10-15)21(26)23(16-11-12-27-19(16)18)13-14-7-3-1-4-8-14/h1-12,24H,13H2,(H,22,25)
InChIKeySZAXHELWSHPTSP-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.07
Rot. Bonds4

About 4-benzyl-7-hydroxy-5-oxo-N-phenylthieno[3,2-b]pyridine-6-carboxamide

4-benzyl-7-hydroxy-5-oxo-N-phenylthieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54728186) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is 4-benzyl-7-hydroxy-5-oxo-N-phenylthieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-benzyl-7-hydroxy-5-oxo-N-phenylthieno[3,2-b]pyridine-6-carboxamide
PubChem CID54728186
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC Name4-benzyl-7-hydroxy-5-oxo-N-phenylthieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(Nc1ccccc1)c1c(O)c2sccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C21H16N2O3S/c24-18-17(20(25)22-15-9-5-2-6-10-15)21(26)23(16-11-12-27-19(16)18)13-14-7-3-1-4-8-14/h1-12,24H,13H2,(H,22,25)
InChIKeySZAXHELWSHPTSP-UHFFFAOYSA-N
XLogP4.07
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-7-hydroxy-5-oxo-N-phenylthieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 4-benzyl-7-hydroxy-5-oxo-N-phenylthieno[3,2-b]pyridine-6-carboxamide (CID 54728186) is 4-benzyl-7-hydroxy-5-oxo-N-phenylthieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 4-benzyl-7-hydroxy-5-oxo-N-phenylthieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 4-benzyl-7-hydroxy-5-oxo-N-phenylthieno[3,2-b]pyridine-6-carboxamide is O=C(Nc1ccccc1)c1c(O)c2sccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 4-benzyl-7-hydroxy-5-oxo-N-phenylthieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is SZAXHELWSHPTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S/c24-18-17(20(25)22-15-9-5-2-6-10-15)21(26)23(16-11-12-27-19(16)18)13-14-7-3-1-4-8-14/h1-12,24H,13H2,(H,22,25).
What are the key properties of 4-benzyl-7-hydroxy-5-oxo-N-phenylthieno[3,2-b]pyridine-6-carboxamide?
4-benzyl-7-hydroxy-5-oxo-N-phenylthieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-7-hydroxy-5-oxo-N-phenylthieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54728186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).