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

C19H23N3O3 — CID 162432294

IUPAC2-(3-ethyl-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide
SMILESCCc1nn(CC(=O)NC2CC(C)(O)C2)c(=O)cc1-c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-3-16-15(13-7-5-4-6-8-13)9-18(24)22(21-16)12-17(23)20-14-10-19(2,25)11-14/h4-9,14,25H,3,10-12H2,1-2H3,(H,20,23)
InChIKeyUUKJVBBTSIERDB-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.50
Rot. Bonds5

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

2-(3-ethyl-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide (PubChem CID 162432294) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(3-ethyl-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide
PubChem CID162432294
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-(3-ethyl-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide
SMILESCCc1nn(CC(=O)NC2CC(C)(O)C2)c(=O)cc1-c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-3-16-15(13-7-5-4-6-8-13)9-18(24)22(21-16)12-17(23)20-14-10-19(2,25)11-14/h4-9,14,25H,3,10-12H2,1-2H3,(H,20,23)
InChIKeyUUKJVBBTSIERDB-UHFFFAOYSA-N
XLogP1.50
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
The IUPAC name of 2-(3-ethyl-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide (CID 162432294) is 2-(3-ethyl-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
The canonical SMILES for 2-(3-ethyl-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide is CCc1nn(CC(=O)NC2CC(C)(O)C2)c(=O)cc1-c1ccccc1.
What is the InChIKey of 2-(3-ethyl-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
The InChIKey is UUKJVBBTSIERDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-16-15(13-7-5-4-6-8-13)9-18(24)22(21-16)12-17(23)20-14-10-19(2,25)11-14/h4-9,14,25H,3,10-12H2,1-2H3,(H,20,23).
What are the key properties of 2-(3-ethyl-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
2-(3-ethyl-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide has a molecular weight of 341.41 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide is sourced from PubChem (CID 162432294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).