2-(4-acetamidophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide

C25H28N6O3 — CID 43992887

IUPAC2-(4-acetamidophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)Nc2ccc(-c3ccc(N4CCN(C)CC4)nn3)cc2)cc1
InChIInChI=1S/C25H28N6O3/c1-18(32)26-20-7-9-22(10-8-20)34-17-25(33)27-21-5-3-19(4-6-21)23-11-12-24(29-28-23)31-15-13-30(2)14-16-31/h3-12H,13-17H2,1-2H3,(H,26,32)(H,27,33)
InChIKeyTVTHSZWWSSJMIE-UHFFFAOYSA-N
MW460.54 g/mol
LogP2.87
Rot. Bonds7

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

2-(4-acetamidophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide (PubChem CID 43992887) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is 2-(4-acetamidophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
PubChem CID43992887
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC Name2-(4-acetamidophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)Nc2ccc(-c3ccc(N4CCN(C)CC4)nn3)cc2)cc1
InChIInChI=1S/C25H28N6O3/c1-18(32)26-20-7-9-22(10-8-20)34-17-25(33)27-21-5-3-19(4-6-21)23-11-12-24(29-28-23)31-15-13-30(2)14-16-31/h3-12H,13-17H2,1-2H3,(H,26,32)(H,27,33)
InChIKeyTVTHSZWWSSJMIE-UHFFFAOYSA-N
XLogP2.87
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992910
2-(4-methylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43992749
N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 43992920
2-(4-fluorophenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992502
2-(4-ethylphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992634
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide
CID 43992204
2-(4-acetamidophenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991753
2-(2,5-dichlorophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992897
2-(3,4-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992474
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 43992220
1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3-(4-phenoxyphenyl)urea
CID 43992993
2-(3,5-dimethylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43992745

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide?
The IUPAC name of 2-(4-acetamidophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide (CID 43992887) is 2-(4-acetamidophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(OCC(=O)Nc2ccc(-c3ccc(N4CCN(C)CC4)nn3)cc2)cc1.
What is the InChIKey of 2-(4-acetamidophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide?
The InChIKey is TVTHSZWWSSJMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-18(32)26-20-7-9-22(10-8-20)34-17-25(33)27-21-5-3-19(4-6-21)23-11-12-24(29-28-23)31-15-13-30(2)14-16-31/h3-12H,13-17H2,1-2H3,(H,26,32)(H,27,33).
What are the key properties of 2-(4-acetamidophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide?
2-(4-acetamidophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide has a molecular weight of 460.54 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 43992887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).