N-(3-hydroxy-3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide

C20H25N3O3 — CID 162432189

IUPACN-(3-hydroxy-3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide
SMILESCC(C)c1nn(CC(=O)NC2CC(C)(O)C2)c(=O)cc1-c1ccccc1
InChIInChI=1S/C20H25N3O3/c1-13(2)19-16(14-7-5-4-6-8-14)9-18(25)23(22-19)12-17(24)21-15-10-20(3,26)11-15/h4-9,13,15,26H,10-12H2,1-3H3,(H,21,24)
InChIKeyLVSGQAGHBJSDAY-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.06
Rot. Bonds5

About N-(3-hydroxy-3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide

N-(3-hydroxy-3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide (PubChem CID 162432189) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(3-hydroxy-3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide
PubChem CID162432189
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-(3-hydroxy-3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide
SMILESCC(C)c1nn(CC(=O)NC2CC(C)(O)C2)c(=O)cc1-c1ccccc1
InChIInChI=1S/C20H25N3O3/c1-13(2)19-16(14-7-5-4-6-8-14)9-18(25)23(22-19)12-17(24)21-15-10-20(3,26)11-15/h4-9,13,15,26H,10-12H2,1-3H3,(H,21,24)
InChIKeyLVSGQAGHBJSDAY-UHFFFAOYSA-N
XLogP2.06
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 169318856
2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 169318868
N-(3-methyl-3-nitrosocyclobutyl)-2-(3-oxo-5-phenyl-6-propan-2-yl-1,2,4-triazin-2-yl)acetamide
CID 170368197
N-[(3S)-1-cyclopropylpiperidin-3-yl]-2-[6-oxo-4-(3-phosphanylphenyl)-3-propan-2-ylpyridazin-1-yl]acetamide
CID 170368578
2-[4-(2,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide
CID 170368231
N-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-2,7-di(propan-2-yl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 166803393
N-(2,2-dimethyloxan-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 52995964
2-[4-(3-cyclopropyl-5-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide
CID 169318895
N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053338
2-(6-bromo-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-(3-methoxy-3-methylcyclobutyl)acetamide
CID 166874409
N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162364313
N-(5-fluoropyrimidin-4-yl)-2-[4-(3-iodophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 170368141

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(3-hydroxy-3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide (CID 162432189) is N-(3-hydroxy-3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(3-hydroxy-3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(3-hydroxy-3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide is CC(C)c1nn(CC(=O)NC2CC(C)(O)C2)c(=O)cc1-c1ccccc1.
What is the InChIKey of N-(3-hydroxy-3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide?
The InChIKey is LVSGQAGHBJSDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13(2)19-16(14-7-5-4-6-8-14)9-18(25)23(22-19)12-17(24)21-15-10-20(3,26)11-15/h4-9,13,15,26H,10-12H2,1-3H3,(H,21,24).
What are the key properties of N-(3-hydroxy-3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide?
N-(3-hydroxy-3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide has a molecular weight of 355.44 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 162432189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).