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

C25H27N5O3 — CID 43991753

IUPAC2-(4-acetamidophenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1
InChIInChI=1S/C25H27N5O3/c1-18(31)26-20-8-10-22(11-9-20)33-17-25(32)27-21-7-5-6-19(16-21)23-12-13-24(29-28-23)30-14-3-2-4-15-30/h5-13,16H,2-4,14-15,17H2,1H3,(H,26,31)(H,27,32)
InChIKeyGKKIJHWQQAKKBO-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.11
Rot. Bonds7

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

2-(4-acetamidophenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide (PubChem CID 43991753) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-(4-acetamidophenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
PubChem CID43991753
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name2-(4-acetamidophenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1
InChIInChI=1S/C25H27N5O3/c1-18(31)26-20-8-10-22(11-9-20)33-17-25(32)27-21-7-5-6-19(16-21)23-12-13-24(29-28-23)30-14-3-2-4-15-30/h5-13,16H,2-4,14-15,17H2,1H3,(H,26,31)(H,27,32)
InChIKeyGKKIJHWQQAKKBO-UHFFFAOYSA-N
XLogP4.11
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991777
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-[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-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide
CID 43992204
2-(4-ethylphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992634
2-(4-acetamidophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992887
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 43992220
2-(4-fluorophenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992502

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-acetamidophenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide (CID 43991753) is 2-(4-acetamidophenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide is CC(=O)Nc1ccc(OCC(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1.
What is the InChIKey of 2-(4-acetamidophenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The InChIKey is GKKIJHWQQAKKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-18(31)26-20-8-10-22(11-9-20)33-17-25(32)27-21-7-5-6-19(16-21)23-12-13-24(29-28-23)30-14-3-2-4-15-30/h5-13,16H,2-4,14-15,17H2,1H3,(H,26,31)(H,27,32).
What are the key properties of 2-(4-acetamidophenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide?
2-(4-acetamidophenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide has a molecular weight of 445.52 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 43991753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).