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

C24H25ClN4O2 — CID 43991488

IUPAC2-(2-chlorophenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
SMILESCC1CCN(c2ccc(-c3cccc(NC(=O)COc4ccccc4Cl)c3)nn2)CC1
InChIInChI=1S/C24H25ClN4O2/c1-17-11-13-29(14-12-17)23-10-9-21(27-28-23)18-5-4-6-19(15-18)26-24(30)16-31-22-8-3-2-7-20(22)25/h2-10,15,17H,11-14,16H2,1H3,(H,26,30)
InChIKeyKEPIJHBXGQOUTA-UHFFFAOYSA-N
MW436.94 g/mol
LogP5.05
Rot. Bonds6

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

2-(2-chlorophenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide (PubChem CID 43991488) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
PubChem CID43991488
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC Name2-(2-chlorophenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
SMILESCC1CCN(c2ccc(-c3cccc(NC(=O)COc4ccccc4Cl)c3)nn2)CC1
InChIInChI=1S/C24H25ClN4O2/c1-17-11-13-29(14-12-17)23-10-9-21(27-28-23)18-5-4-6-19(15-18)26-24(30)16-31-22-8-3-2-7-20(22)25/h2-10,15,17H,11-14,16H2,1H3,(H,26,30)
InChIKeyKEPIJHBXGQOUTA-UHFFFAOYSA-N
XLogP5.05
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.94
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethoxyphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43991495
2-(2-methoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991643
2-(4-tert-butylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43991479
2-(4-ethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43991501
2-(2,5-dichlorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992034
N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-2-naphthalen-1-ylacetamide
CID 43991523
2-(2-ethylphenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43991905
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-phenoxyacetamide
CID 8670390
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 43991919
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-chlorophenoxy)acetamide
CID 41077765
N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
CID 43991300
3,4,5-trimethoxy-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41077549

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide (CID 43991488) is 2-(2-chlorophenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide is CC1CCN(c2ccc(-c3cccc(NC(=O)COc4ccccc4Cl)c3)nn2)CC1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide?
The InChIKey is KEPIJHBXGQOUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c1-17-11-13-29(14-12-17)23-10-9-21(27-28-23)18-5-4-6-19(15-18)26-24(30)16-31-22-8-3-2-7-20(22)25/h2-10,15,17H,11-14,16H2,1H3,(H,26,30).
What are the key properties of 2-(2-chlorophenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide?
2-(2-chlorophenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide has a molecular weight of 436.94 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 43991488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).