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

C21H26ClN3O2 — CID 170368881

IUPAC2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3,3-dimethylcyclobutyl)acetamide
SMILESCC(C)c1nn(CC(=O)NC2CC(C)(C)C2)c(=O)cc1-c1ccccc1Cl
InChIInChI=1S/C21H26ClN3O2/c1-13(2)20-16(15-7-5-6-8-17(15)22)9-19(27)25(24-20)12-18(26)23-14-10-21(3,4)11-14/h5-9,13-14H,10-12H2,1-4H3,(H,23,26)
InChIKeyNDHSPLCXPRHHOY-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.99
Rot. Bonds5

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

2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3,3-dimethylcyclobutyl)acetamide (PubChem CID 170368881) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3,3-dimethylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3,3-dimethylcyclobutyl)acetamide
PubChem CID170368881
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3,3-dimethylcyclobutyl)acetamide
SMILESCC(C)c1nn(CC(=O)NC2CC(C)(C)C2)c(=O)cc1-c1ccccc1Cl
InChIInChI=1S/C21H26ClN3O2/c1-13(2)20-16(15-7-5-6-8-17(15)22)9-19(27)25(24-20)12-18(26)23-14-10-21(3,4)11-14/h5-9,13-14H,10-12H2,1-4H3,(H,23,26)
InChIKeyNDHSPLCXPRHHOY-UHFFFAOYSA-N
XLogP3.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3,3-dimethylcyclobutyl)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-(3,3-dimethylcyclobutyl)acetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3,3-dimethylcyclobutyl)acetamide (CID 170368881) is 2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3,3-dimethylcyclobutyl)acetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3,3-dimethylcyclobutyl)acetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3,3-dimethylcyclobutyl)acetamide is CC(C)c1nn(CC(=O)NC2CC(C)(C)C2)c(=O)cc1-c1ccccc1Cl.
What is the InChIKey of 2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3,3-dimethylcyclobutyl)acetamide?
The InChIKey is NDHSPLCXPRHHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-13(2)20-16(15-7-5-6-8-17(15)22)9-19(27)25(24-20)12-18(26)23-14-10-21(3,4)11-14/h5-9,13-14H,10-12H2,1-4H3,(H,23,26).
What are the key properties of 2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3,3-dimethylcyclobutyl)acetamide?
2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3,3-dimethylcyclobutyl)acetamide has a molecular weight of 387.91 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 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-(3,3-dimethylcyclobutyl)acetamide is sourced from PubChem (CID 170368881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).