N-cyclohexyl-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide

C14H16N2O3S — CID 59702050

IUPACN-cyclohexyl-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1c(O)c2cscc2[nH]c1=O
InChIInChI=1S/C14H16N2O3S/c17-12-9-6-20-7-10(9)16-14(19)11(12)13(18)15-8-4-2-1-3-5-8/h6-8,17H,1-5H2,(H,15,18)(H,16,19)
InChIKeyGKLUHBJGTFCXCT-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.36
Rot. Bonds2

About N-cyclohexyl-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide

N-cyclohexyl-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide (PubChem CID 59702050) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-cyclohexyl-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide
PubChem CID59702050
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-cyclohexyl-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1c(O)c2cscc2[nH]c1=O
InChIInChI=1S/C14H16N2O3S/c17-12-9-6-20-7-10(9)16-14(19)11(12)13(18)15-8-4-2-1-3-5-8/h6-8,17H,1-5H2,(H,15,18)(H,16,19)
InChIKeyGKLUHBJGTFCXCT-UHFFFAOYSA-N
XLogP2.36
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide (CID 59702050) is N-cyclohexyl-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide is O=C(NC1CCCCC1)c1c(O)c2cscc2[nH]c1=O.
What is the InChIKey of N-cyclohexyl-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide?
The InChIKey is GKLUHBJGTFCXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c17-12-9-6-20-7-10(9)16-14(19)11(12)13(18)15-8-4-2-1-3-5-8/h6-8,17H,1-5H2,(H,15,18)(H,16,19).
What are the key properties of N-cyclohexyl-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide?
N-cyclohexyl-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 59702050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).