2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-nitrophenyl)acetamide

C20H18N4O4 — CID 7663331

IUPAC2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-nitrophenyl)acetamide
SMILESCCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3[N+](=O)[O-])n2)cc1
InChIInChI=1S/C20H18N4O4/c1-2-14-7-9-15(10-8-14)16-11-12-20(26)23(22-16)13-19(25)21-17-5-3-4-6-18(17)24(27)28/h3-12H,2,13H2,1H3,(H,21,25)
InChIKeyCYBTWZIQROFXHN-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.02
Rot. Bonds6

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

2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-nitrophenyl)acetamide (PubChem CID 7663331) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-nitrophenyl)acetamide
PubChem CID7663331
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-nitrophenyl)acetamide
SMILESCCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3[N+](=O)[O-])n2)cc1
InChIInChI=1S/C20H18N4O4/c1-2-14-7-9-15(10-8-14)16-11-12-20(26)23(22-16)13-19(25)21-17-5-3-4-6-18(17)24(27)28/h3-12H,2,13H2,1H3,(H,21,25)
InChIKeyCYBTWZIQROFXHN-UHFFFAOYSA-N
XLogP3.02
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 7663294
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 121050893
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 7663979
N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6460502
N-(5-chloro-2-cyanophenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050897
N-(4-chlorophenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7663387
N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053346
N-(4-acetylphenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7663125
N-(2-ethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052659
N-[1-(4-ethylphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 47051909
N-(2-ethylsulfonylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55872759
2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide
CID 121051022

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-nitrophenyl)acetamide (CID 7663331) is 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-nitrophenyl)acetamide is CCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3[N+](=O)[O-])n2)cc1.
What is the InChIKey of 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-nitrophenyl)acetamide?
The InChIKey is CYBTWZIQROFXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-2-14-7-9-15(10-8-14)16-11-12-20(26)23(22-16)13-19(25)21-17-5-3-4-6-18(17)24(27)28/h3-12H,2,13H2,1H3,(H,21,25).
What are the key properties of 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-nitrophenyl)acetamide?
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-nitrophenyl)acetamide has a molecular weight of 378.39 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 7663331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).