2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide

C21H28N4O2 — CID 3238346

IUPAC2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NCCN3CCCCC3C)n2)cc1
InChIInChI=1S/C21H28N4O2/c1-16-6-8-18(9-7-16)19-10-11-21(27)25(23-19)15-20(26)22-12-14-24-13-4-3-5-17(24)2/h6-11,17H,3-5,12-15H2,1-2H3,(H,22,26)
InChIKeyXWKUCTDWHUFMIF-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.21
Rot. Bonds6

About 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide

2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide (PubChem CID 3238346) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
PubChem CID3238346
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NCCN3CCCCC3C)n2)cc1
InChIInChI=1S/C21H28N4O2/c1-16-6-8-18(9-7-16)19-10-11-21(27)25(23-19)15-20(26)22-12-14-24-13-4-3-5-17(24)2/h6-11,17H,3-5,12-15H2,1-2H3,(H,22,26)
InChIKeyXWKUCTDWHUFMIF-UHFFFAOYSA-N
XLogP2.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]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-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide (CID 3238346) is 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide is Cc1ccc(-c2ccc(=O)n(CC(=O)NCCN3CCCCC3C)n2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide?
The InChIKey is XWKUCTDWHUFMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-16-6-8-18(9-7-16)19-10-11-21(27)25(23-19)15-20(26)22-12-14-24-13-4-3-5-17(24)2/h6-11,17H,3-5,12-15H2,1-2H3,(H,22,26).
What are the key properties of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide?
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 3238346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).