2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

C24H24N4O2 — CID 121050894

IUPAC2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCCc1ccc(-c2ccc(=O)n(CC(=O)NCCc3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C24H24N4O2/c1-2-17-7-9-18(10-8-17)21-11-12-24(30)28(27-21)16-23(29)25-14-13-19-15-26-22-6-4-3-5-20(19)22/h3-12,15,26H,2,13-14,16H2,1H3,(H,25,29)
InChIKeyAVZBFLQSZVIHCL-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.31
Rot. Bonds7

About 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 121050894) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID121050894
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCCc1ccc(-c2ccc(=O)n(CC(=O)NCCc3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C24H24N4O2/c1-2-17-7-9-18(10-8-17)21-11-12-24(30)28(27-21)16-23(29)25-14-13-19-15-26-22-6-4-3-5-20(19)22/h3-12,15,26H,2,13-14,16H2,1H3,(H,25,29)
InChIKeyAVZBFLQSZVIHCL-UHFFFAOYSA-N
XLogP3.31
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 52899053
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 52902934
N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053346
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 51049102
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 52898467
2-(4-ethylphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26710642
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(1H-indol-3-yl)acetamide
CID 121059174
2-(4-ethylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002445
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7664506
2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide
CID 121051022
N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7666195
N-[2-(1H-indol-3-yl)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide
CID 121064179

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 121050894) is 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is CCc1ccc(-c2ccc(=O)n(CC(=O)NCCc3c[nH]c4ccccc34)n2)cc1.
What is the InChIKey of 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is AVZBFLQSZVIHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-2-17-7-9-18(10-8-17)21-11-12-24(30)28(27-21)16-23(29)25-14-13-19-15-26-22-6-4-3-5-20(19)22/h3-12,15,26H,2,13-14,16H2,1H3,(H,25,29).
What are the key properties of 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 400.48 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 121050894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).