N-(3-hydroxy-3-methylcyclobutyl)-2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide

C18H21N3O4 — CID 162432200

IUPACN-(3-hydroxy-3-methylcyclobutyl)-2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide
SMILESCOc1nn(CC(=O)NC2CC(C)(O)C2)c(=O)cc1-c1ccccc1
InChIInChI=1S/C18H21N3O4/c1-18(24)9-13(10-18)19-15(22)11-21-16(23)8-14(17(20-21)25-2)12-6-4-3-5-7-12/h3-8,13,24H,9-11H2,1-2H3,(H,19,22)
InChIKeyGWZAPEZYLRUKSV-UHFFFAOYSA-N
MW343.38 g/mol
LogP0.95
Rot. Bonds5

About N-(3-hydroxy-3-methylcyclobutyl)-2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide

N-(3-hydroxy-3-methylcyclobutyl)-2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide (PubChem CID 162432200) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(3-hydroxy-3-methylcyclobutyl)-2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-methylcyclobutyl)-2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide
PubChem CID162432200
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-(3-hydroxy-3-methylcyclobutyl)-2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide
SMILESCOc1nn(CC(=O)NC2CC(C)(O)C2)c(=O)cc1-c1ccccc1
InChIInChI=1S/C18H21N3O4/c1-18(24)9-13(10-18)19-15(22)11-21-16(23)8-14(17(20-21)25-2)12-6-4-3-5-7-12/h3-8,13,24H,9-11H2,1-2H3,(H,19,22)
InChIKeyGWZAPEZYLRUKSV-UHFFFAOYSA-N
XLogP0.95
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 169318866
2-[4-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 169318872
2-[4-(2-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 169318882
2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-fluoro-N-(3-methylcyclobutyl)acetamide
CID 170368572
N-(3-hydroxy-3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide
CID 162432189
2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 162432217
2-(3-chloro-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 162432261
2-(3-ethyl-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 162432294
N-(3-hydroxy-3-methylcyclobutyl)-2-[4-(3-methoxyphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 162432300
N-(3-hydroxy-3-methylcyclobutyl)-2-[4-(2-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 169318862
N-(3-hydroxy-3-methylcyclobutyl)-2-[4-(3-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 169318883
2-[4-(2-ethylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 170368436

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-methylcyclobutyl)-2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-(3-hydroxy-3-methylcyclobutyl)-2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide (CID 162432200) is N-(3-hydroxy-3-methylcyclobutyl)-2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(3-hydroxy-3-methylcyclobutyl)-2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(3-hydroxy-3-methylcyclobutyl)-2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide is COc1nn(CC(=O)NC2CC(C)(O)C2)c(=O)cc1-c1ccccc1.
What is the InChIKey of N-(3-hydroxy-3-methylcyclobutyl)-2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide?
The InChIKey is GWZAPEZYLRUKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-18(24)9-13(10-18)19-15(22)11-21-16(23)8-14(17(20-21)25-2)12-6-4-3-5-7-12/h3-8,13,24H,9-11H2,1-2H3,(H,19,22).
What are the key properties of N-(3-hydroxy-3-methylcyclobutyl)-2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide?
N-(3-hydroxy-3-methylcyclobutyl)-2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide has a molecular weight of 343.38 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-methylcyclobutyl)-2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 162432200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).