2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide

C24H26N4O3 — CID 43991777

IUPAC2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1
InChIInChI=1S/C24H26N4O3/c1-30-20-8-10-21(11-9-20)31-17-24(29)25-19-7-5-6-18(16-19)22-12-13-23(27-26-22)28-14-3-2-4-15-28/h5-13,16H,2-4,14-15,17H2,1H3,(H,25,29)
InChIKeyZDYRWVQQTWWAQJ-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.16
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide

2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide (PubChem CID 43991777) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
PubChem CID43991777
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1
InChIInChI=1S/C24H26N4O3/c1-30-20-8-10-21(11-9-20)31-17-24(29)25-19-7-5-6-18(16-19)22-12-13-23(27-26-22)28-14-3-2-4-15-28/h5-13,16H,2-4,14-15,17H2,1H3,(H,25,29)
InChIKeyZDYRWVQQTWWAQJ-UHFFFAOYSA-N
XLogP4.16
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991637
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 43991338
2-(2-methoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991643
2-(3,5-dimethoxyphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43991495
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(3-methoxyphenyl)urea
CID 43991414
2-[3-(diethylamino)phenoxy]-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991758
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 43992220
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide (CID 43991777) is 2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide is COc1ccc(OCC(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The InChIKey is ZDYRWVQQTWWAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-30-20-8-10-21(11-9-20)31-17-24(29)25-19-7-5-6-18(16-19)22-12-13-23(27-26-22)28-14-3-2-4-15-28/h5-13,16H,2-4,14-15,17H2,1H3,(H,25,29).
What are the key properties of 2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide?
2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide has a molecular weight of 418.50 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 43991777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).