4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide

C21H28N4O4 — CID 108785284

IUPAC4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide
SMILESCOc1ccccc1-n1nc(C(=O)NC2CC(C)(C)NC(C)(C)C2)c(O)cc1=O
InChIInChI=1S/C21H28N4O4/c1-20(2)11-13(12-21(3,4)24-20)22-19(28)18-15(26)10-17(27)25(23-18)14-8-6-7-9-16(14)29-5/h6-10,13,24,26H,11-12H2,1-5H3,(H,22,28)
InChIKeyWHRLYZCCKBHWPT-UHFFFAOYSA-N
MW400.48 g/mol
LogP1.99
Rot. Bonds4

About 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide

4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide (PubChem CID 108785284) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide
PubChem CID108785284
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide
SMILESCOc1ccccc1-n1nc(C(=O)NC2CC(C)(C)NC(C)(C)C2)c(O)cc1=O
InChIInChI=1S/C21H28N4O4/c1-20(2)11-13(12-21(3,4)24-20)22-19(28)18-15(26)10-17(27)25(23-18)14-8-6-7-9-16(14)29-5/h6-10,13,24,26H,11-12H2,1-5H3,(H,22,28)
InChIKeyWHRLYZCCKBHWPT-UHFFFAOYSA-N
XLogP1.99
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide with MolForge

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Related Compounds

1-(2-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide
CID 27243357
1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide
CID 108791469
4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide
CID 108798482
3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
CID 108785229
N-(4-acetamidophenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785176
N-benzhydryl-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785217
N-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798453
N-[4-(diethylamino)butyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785323
ethyl 2-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]acetate
CID 108798587
N-(3,4-dichlorophenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785180
N-(2-acetylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798578
4-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoic acid
CID 108798433

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide?
The IUPAC name of 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide (CID 108785284) is 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide is COc1ccccc1-n1nc(C(=O)NC2CC(C)(C)NC(C)(C)C2)c(O)cc1=O.
What is the InChIKey of 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide?
The InChIKey is WHRLYZCCKBHWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-20(2)11-13(12-21(3,4)24-20)22-19(28)18-15(26)10-17(27)25(23-18)14-8-6-7-9-16(14)29-5/h6-10,13,24,26H,11-12H2,1-5H3,(H,22,28).
What are the key properties of 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide?
4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 108785284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).