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

C25H28N4O2 — CID 43992634

IUPAC2-(4-ethylphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)cc1
InChIInChI=1S/C25H28N4O2/c1-2-19-6-12-22(13-7-19)31-18-25(30)26-21-10-8-20(9-11-21)23-14-15-24(28-27-23)29-16-4-3-5-17-29/h6-15H,2-5,16-18H2,1H3,(H,26,30)
InChIKeyFIKFSMAEQMPOID-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.71
Rot. Bonds7

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

2-(4-ethylphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide (PubChem CID 43992634) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
PubChem CID43992634
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name2-(4-ethylphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)cc1
InChIInChI=1S/C25H28N4O2/c1-2-19-6-12-22(13-7-19)31-18-25(30)26-21-10-8-20(9-11-21)23-14-15-24(28-27-23)29-16-4-3-5-17-29/h6-15H,2-5,16-18H2,1H3,(H,26,30)
InChIKeyFIKFSMAEQMPOID-UHFFFAOYSA-N
XLogP4.71
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide
CID 43992204
2-(4-ethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991637
2-(4-fluorophenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992502
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 43992220
2-(3,4-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992474
2-(4-acetamidophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992887
2-(4-acetamidophenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991753
2-(4-methylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43992749
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(1,3-benzodioxol-5-yloxy)acetamide
CID 43992237
2-[3-(diethylamino)phenoxy]-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992622
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide (CID 43992634) is 2-(4-ethylphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide is CCc1ccc(OCC(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The InChIKey is FIKFSMAEQMPOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-2-19-6-12-22(13-7-19)31-18-25(30)26-21-10-8-20(9-11-21)23-14-15-24(28-27-23)29-16-4-3-5-17-29/h6-15H,2-5,16-18H2,1H3,(H,26,30).
What are the key properties of 2-(4-ethylphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide?
2-(4-ethylphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide has a molecular weight of 416.53 g/mol, XLogP of 4.71, 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-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 43992634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).