2-(4-acetyl-2-methoxyphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide

C20H21N5O5 — CID 90538716

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NCCn1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C20H21N5O5/c1-14(26)15-4-5-16(17(12-15)29-2)30-13-19(27)21-9-11-25-20(28)7-6-18(23-25)24-10-3-8-22-24/h3-8,10,12H,9,11,13H2,1-2H3,(H,21,27)
InChIKeyOMCCUPRDZXWNTR-UHFFFAOYSA-N
MW411.42 g/mol
LogP0.84
Rot. Bonds9

About 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide (PubChem CID 90538716) has the molecular formula C20H21N5O5 and a molecular weight of 411.42 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide
PubChem CID90538716
Molecular FormulaC20H21N5O5
Molecular Weight411.42 g/mol
Exact Mass411.15
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NCCn1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C20H21N5O5/c1-14(26)15-4-5-16(17(12-15)29-2)30-13-19(27)21-9-11-25-20(28)7-6-18(23-25)24-10-3-8-22-24/h3-8,10,12H,9,11,13H2,1-2H3,(H,21,27)
InChIKeyOMCCUPRDZXWNTR-UHFFFAOYSA-N
XLogP0.84
TPSA117.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(2-methoxy-4-methylphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide
CID 90538738
3,4-dimethoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
CID 90538642
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 122277848
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515599
2-(4-acetyl-2-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515853
2-(2-methoxy-4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide
CID 30948572
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-4-propan-2-yloxybenzamide
CID 90538814
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517415
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-4-phenoxybenzamide
CID 90538856
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517413
N-(3-acetylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517248
6-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]pyran-3-carboxamide
CID 90538846

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide (CID 90538716) is 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide is COc1cc(C(C)=O)ccc1OCC(=O)NCCn1nc(-n2cccn2)ccc1=O.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide?
The InChIKey is OMCCUPRDZXWNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O5/c1-14(26)15-4-5-16(17(12-15)29-2)30-13-19(27)21-9-11-25-20(28)7-6-18(23-25)24-10-3-8-22-24/h3-8,10,12H,9,11,13H2,1-2H3,(H,21,27).
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide has a molecular weight of 411.42 g/mol, XLogP of 0.84, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 90538716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).