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

C20H24ClN3O3 — CID 162432270

IUPAC2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
SMILESCC(C)c1nn(CC(=O)NC2CC(C)(O)C2)c(=O)cc1-c1ccccc1Cl
InChIInChI=1S/C20H24ClN3O3/c1-12(2)19-15(14-6-4-5-7-16(14)21)8-18(26)24(23-19)11-17(25)22-13-9-20(3,27)10-13/h4-8,12-13,27H,9-11H2,1-3H3,(H,22,25)
InChIKeyUTZBIDIUIVAOOY-UHFFFAOYSA-N
MW389.88 g/mol
LogP2.72
Rot. Bonds5

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

2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide (PubChem CID 162432270) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
PubChem CID162432270
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
SMILESCC(C)c1nn(CC(=O)NC2CC(C)(O)C2)c(=O)cc1-c1ccccc1Cl
InChIInChI=1S/C20H24ClN3O3/c1-12(2)19-15(14-6-4-5-7-16(14)21)8-18(26)24(23-19)11-17(25)22-13-9-20(3,27)10-13/h4-8,12-13,27H,9-11H2,1-3H3,(H,22,25)
InChIKeyUTZBIDIUIVAOOY-UHFFFAOYSA-N
XLogP2.72
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide (CID 162432270) is 2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide is CC(C)c1nn(CC(=O)NC2CC(C)(O)C2)c(=O)cc1-c1ccccc1Cl.
What is the InChIKey of 2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
The InChIKey is UTZBIDIUIVAOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-12(2)19-15(14-6-4-5-7-16(14)21)8-18(26)24(23-19)11-17(25)22-13-9-20(3,27)10-13/h4-8,12-13,27H,9-11H2,1-3H3,(H,22,25).
What are the key properties of 2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide has a molecular weight of 389.88 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide is sourced from PubChem (CID 162432270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).