4-benzyl-7-hydroxy-5-oxo-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide

C21H17N3O3S — CID 54734574

IUPAC4-benzyl-7-hydroxy-5-oxo-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(NCc1ccncc1)c1c(O)c2sccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C21H17N3O3S/c25-18-17(20(26)23-12-14-6-9-22-10-7-14)21(27)24(16-8-11-28-19(16)18)13-15-4-2-1-3-5-15/h1-11,25H,12-13H2,(H,23,26)
InChIKeyXFVLOVOEZPKFLL-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.14
Rot. Bonds5

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

4-benzyl-7-hydroxy-5-oxo-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54734574) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-benzyl-7-hydroxy-5-oxo-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-benzyl-7-hydroxy-5-oxo-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide
PubChem CID54734574
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name4-benzyl-7-hydroxy-5-oxo-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(NCc1ccncc1)c1c(O)c2sccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C21H17N3O3S/c25-18-17(20(26)23-12-14-6-9-22-10-7-14)21(27)24(16-8-11-28-19(16)18)13-15-4-2-1-3-5-15/h1-11,25H,12-13H2,(H,23,26)
InChIKeyXFVLOVOEZPKFLL-UHFFFAOYSA-N
XLogP3.14
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-7-hydroxy-5-oxo-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 4-benzyl-7-hydroxy-5-oxo-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide (CID 54734574) is 4-benzyl-7-hydroxy-5-oxo-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 4-benzyl-7-hydroxy-5-oxo-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 4-benzyl-7-hydroxy-5-oxo-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide is O=C(NCc1ccncc1)c1c(O)c2sccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 4-benzyl-7-hydroxy-5-oxo-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is XFVLOVOEZPKFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c25-18-17(20(26)23-12-14-6-9-22-10-7-14)21(27)24(16-8-11-28-19(16)18)13-15-4-2-1-3-5-15/h1-11,25H,12-13H2,(H,23,26).
What are the key properties of 4-benzyl-7-hydroxy-5-oxo-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide?
4-benzyl-7-hydroxy-5-oxo-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-7-hydroxy-5-oxo-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54734574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).