2-(4-ethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide

C26H30N4O2 — CID 43991501

IUPAC2-(4-ethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)cc1
InChIInChI=1S/C26H30N4O2/c1-3-20-7-9-23(10-8-20)32-18-26(31)27-22-6-4-5-21(17-22)24-11-12-25(29-28-24)30-15-13-19(2)14-16-30/h4-12,17,19H,3,13-16,18H2,1-2H3,(H,27,31)
InChIKeyOVSVBVLUGPRRTA-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.96
Rot. Bonds7

About 2-(4-ethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide

2-(4-ethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide (PubChem CID 43991501) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
PubChem CID43991501
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name2-(4-ethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)cc1
InChIInChI=1S/C26H30N4O2/c1-3-20-7-9-23(10-8-20)32-18-26(31)27-22-6-4-5-21(17-22)24-11-12-25(29-28-24)30-15-13-19(2)14-16-30/h4-12,17,19H,3,13-16,18H2,1-2H3,(H,27,31)
InChIKeyOVSVBVLUGPRRTA-UHFFFAOYSA-N
XLogP4.96
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-ethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-ethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991637
2-(4-tert-butylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43991479
2-(3,5-dimethoxyphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43991495
1-(4-ethoxyphenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea
CID 43991571
2-(2-chlorophenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43991488
2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991777
2-(4-acetamidophenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991753
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-phenoxyacetamide
CID 8670390
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-chlorophenoxy)acetamide
CID 41077765
2-(4-ethylphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992634
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 43991338
N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-2-naphthalen-1-ylacetamide
CID 43991523

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide (CID 43991501) is 2-(4-ethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide is CCc1ccc(OCC(=O)Nc2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide?
The InChIKey is OVSVBVLUGPRRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-3-20-7-9-23(10-8-20)32-18-26(31)27-22-6-4-5-21(17-22)24-11-12-25(29-28-24)30-15-13-19(2)14-16-30/h4-12,17,19H,3,13-16,18H2,1-2H3,(H,27,31).
What are the key properties of 2-(4-ethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide?
2-(4-ethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide has a molecular weight of 430.55 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 43991501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).