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

C13H16N2O3S — CID 54734345

IUPAC7-hydroxy-5-oxo-N-pentyl-4H-thieno[3,2-b]pyridine-6-carboxamide
SMILESCCCCCNC(=O)c1c(O)c2sccc2[nH]c1=O
InChIInChI=1S/C13H16N2O3S/c1-2-3-4-6-14-12(17)9-10(16)11-8(5-7-19-11)15-13(9)18/h5,7H,2-4,6H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyHQULJYNAQUKNBB-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.22
Rot. Bonds5

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

7-hydroxy-5-oxo-N-pentyl-4H-thieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54734345) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 7-hydroxy-5-oxo-N-pentyl-4H-thieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name7-hydroxy-5-oxo-N-pentyl-4H-thieno[3,2-b]pyridine-6-carboxamide
PubChem CID54734345
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name7-hydroxy-5-oxo-N-pentyl-4H-thieno[3,2-b]pyridine-6-carboxamide
SMILESCCCCCNC(=O)c1c(O)c2sccc2[nH]c1=O
InChIInChI=1S/C13H16N2O3S/c1-2-3-4-6-14-12(17)9-10(16)11-8(5-7-19-11)15-13(9)18/h5,7H,2-4,6H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyHQULJYNAQUKNBB-UHFFFAOYSA-N
XLogP2.22
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(7-Hydroxy-4-methyl-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxamido)acetic Acid
CID 54749369
Thieno(3,2-b)pyridine-5,7-diol
CID 54679747
(3Z)-3-[ethylamino(hydroxy)methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one
CID 54696630
4-Benzyl-N-butyl-7-hydroxy-5-oxo-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734557
4-benzyl-7-hydroxy-5-oxo-N-phenyl-4H,5H-thieno[3,2-b]pyridine-6-carboxamide
CID 54728186
4-benzyl-7-hydroxy-5-oxo-N-(2-phenylethyl)-4H,5H-thieno[3,2-b]pyridine-6-carboxamide
CID 54733605
4-Benzyl-7-hydroxy-5-oxo-N-(1-phenylethyl)-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734554
4-benzyl-N-(sec-butyl)-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxamide
CID 54734562
4-Benzyl-7-hydroxy-5-oxo-N-[(thiophen-2-YL)methyl]-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734564
4-Benzyl-7-hydroxy-N-[2-(4-methylpiperidin-1-YL)ethyl]-5-oxo-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734565
4-Benzyl-7-hydroxy-5-oxo-N-[2-(thiophen-2-YL)ethyl]-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734571
4-Benzyl-7-hydroxy-N-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734572

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-5-oxo-N-pentyl-4H-thieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 7-hydroxy-5-oxo-N-pentyl-4H-thieno[3,2-b]pyridine-6-carboxamide (CID 54734345) is 7-hydroxy-5-oxo-N-pentyl-4H-thieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 7-hydroxy-5-oxo-N-pentyl-4H-thieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 7-hydroxy-5-oxo-N-pentyl-4H-thieno[3,2-b]pyridine-6-carboxamide is CCCCCNC(=O)c1c(O)c2sccc2[nH]c1=O.
What is the InChIKey of 7-hydroxy-5-oxo-N-pentyl-4H-thieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is HQULJYNAQUKNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-2-3-4-6-14-12(17)9-10(16)11-8(5-7-19-11)15-13(9)18/h5,7H,2-4,6H2,1H3,(H,14,17)(H2,15,16,18).
What are the key properties of 7-hydroxy-5-oxo-N-pentyl-4H-thieno[3,2-b]pyridine-6-carboxamide?
7-hydroxy-5-oxo-N-pentyl-4H-thieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5-oxo-N-pentyl-4H-thieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54734345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).