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

C19H20N2O3S — CID 54734557

IUPAC4-benzyl-N-butyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCCCCNC(=O)c1c(O)c2sccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C19H20N2O3S/c1-2-3-10-20-18(23)15-16(22)17-14(9-11-25-17)21(19(15)24)12-13-7-5-4-6-8-13/h4-9,11,22H,2-3,10,12H2,1H3,(H,20,23)
InChIKeyHURDGGGKSYBXNL-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.35
Rot. Bonds6

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

4-benzyl-N-butyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54734557) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-benzyl-N-butyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-butyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
PubChem CID54734557
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name4-benzyl-N-butyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCCCCNC(=O)c1c(O)c2sccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C19H20N2O3S/c1-2-3-10-20-18(23)15-16(22)17-14(9-11-25-17)21(19(15)24)12-13-7-5-4-6-8-13/h4-9,11,22H,2-3,10,12H2,1H3,(H,20,23)
InChIKeyHURDGGGKSYBXNL-UHFFFAOYSA-N
XLogP3.35
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-butyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 4-benzyl-N-butyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide (CID 54734557) is 4-benzyl-N-butyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 4-benzyl-N-butyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 4-benzyl-N-butyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide is CCCCNC(=O)c1c(O)c2sccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 4-benzyl-N-butyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is HURDGGGKSYBXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-2-3-10-20-18(23)15-16(22)17-14(9-11-25-17)21(19(15)24)12-13-7-5-4-6-8-13/h4-9,11,22H,2-3,10,12H2,1H3,(H,20,23).
What are the key properties of 4-benzyl-N-butyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
4-benzyl-N-butyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-butyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54734557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).