N-(4-tert-butylcyclohexyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide

C18H24N2O3S — CID 58024644

IUPACN-(4-tert-butylcyclohexyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide
SMILESCC(C)(C)C1CCC(NC(=O)c2c(O)c3cscc3[nH]c2=O)CC1
InChIInChI=1S/C18H24N2O3S/c1-18(2,3)10-4-6-11(7-5-10)19-16(22)14-15(21)12-8-24-9-13(12)20-17(14)23/h8-11,21H,4-7H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyHKOZFNCXMNXYKG-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.63
Rot. Bonds2

About N-(4-tert-butylcyclohexyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide

N-(4-tert-butylcyclohexyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide (PubChem CID 58024644) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide
PubChem CID58024644
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-(4-tert-butylcyclohexyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide
SMILESCC(C)(C)C1CCC(NC(=O)c2c(O)c3cscc3[nH]c2=O)CC1
InChIInChI=1S/C18H24N2O3S/c1-18(2,3)10-4-6-11(7-5-10)19-16(22)14-15(21)12-8-24-9-13(12)20-17(14)23/h8-11,21H,4-7H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyHKOZFNCXMNXYKG-UHFFFAOYSA-N
XLogP3.63
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide?
The IUPAC name of N-(4-tert-butylcyclohexyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide (CID 58024644) is N-(4-tert-butylcyclohexyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide is CC(C)(C)C1CCC(NC(=O)c2c(O)c3cscc3[nH]c2=O)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide?
The InChIKey is HKOZFNCXMNXYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-18(2,3)10-4-6-11(7-5-10)19-16(22)14-15(21)12-8-24-9-13(12)20-17(14)23/h8-11,21H,4-7H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-(4-tert-butylcyclohexyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide?
N-(4-tert-butylcyclohexyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 3.63, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 58024644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).