2-(4-ethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide

C24H26N4O2 — CID 43991637

IUPAC2-(4-ethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1
InChIInChI=1S/C24H26N4O2/c1-2-18-8-10-21(11-9-18)30-17-24(29)25-20-7-5-6-19(16-20)22-12-13-23(27-26-22)28-14-3-4-15-28/h5-13,16H,2-4,14-15,17H2,1H3,(H,25,29)
InChIKeyYRIOWEHRFLSNPG-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.32
Rot. Bonds7

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

2-(4-ethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide (PubChem CID 43991637) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
PubChem CID43991637
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name2-(4-ethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1
InChIInChI=1S/C24H26N4O2/c1-2-18-8-10-21(11-9-18)30-17-24(29)25-20-7-5-6-19(16-20)22-12-13-23(27-26-22)28-14-3-4-15-28/h5-13,16H,2-4,14-15,17H2,1H3,(H,25,29)
InChIKeyYRIOWEHRFLSNPG-UHFFFAOYSA-N
XLogP4.32
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43991501
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
2-[3-(diethylamino)phenoxy]-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991758
2-(2-methoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991643
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-methylphenyl)acetamide
CID 43991392
2-(4-tert-butylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43991479
2-(4-ethoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
CID 43991668

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide (CID 43991637) is 2-(4-ethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide is CCc1ccc(OCC(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The InChIKey is YRIOWEHRFLSNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-2-18-8-10-21(11-9-18)30-17-24(29)25-20-7-5-6-19(16-20)22-12-13-23(27-26-22)28-14-3-4-15-28/h5-13,16H,2-4,14-15,17H2,1H3,(H,25,29).
What are the key properties of 2-(4-ethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide?
2-(4-ethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide has a molecular weight of 402.50 g/mol, XLogP of 4.32, 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-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 43991637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).