2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide

C16H18N4O3 — CID 121051022

IUPAC2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide
SMILESCCc1ccc(-c2ccc(=O)n(CC(=O)NCC(N)=O)n2)cc1
InChIInChI=1S/C16H18N4O3/c1-2-11-3-5-12(6-4-11)13-7-8-16(23)20(19-13)10-15(22)18-9-14(17)21/h3-8H,2,9-10H2,1H3,(H2,17,21)(H,18,22)
InChIKeyWIKIMDYYJRNLDC-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.07
Rot. Bonds6

About 2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide

2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide (PubChem CID 121051022) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide
PubChem CID121051022
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide
SMILESCCc1ccc(-c2ccc(=O)n(CC(=O)NCC(N)=O)n2)cc1
InChIInChI=1S/C16H18N4O3/c1-2-11-3-5-12(6-4-11)13-7-8-16(23)20(19-13)10-15(22)18-9-14(17)21/h3-8H,2,9-10H2,1H3,(H2,17,21)(H,18,22)
InChIKeyWIKIMDYYJRNLDC-UHFFFAOYSA-N
XLogP0.07
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate
CID 7662975
2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide
CID 121050563
N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053346
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121050978
N-(4-chlorophenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7663387
N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6460502
ethyl 2-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate
CID 7664397
N-(4-acetylphenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7663125
N-[1-(4-ethylphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 47051909
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 7663294
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 121050956
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 7659873

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide?
The IUPAC name of 2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide (CID 121051022) is 2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide.
What is the SMILES notation for 2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide?
The canonical SMILES for 2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide is CCc1ccc(-c2ccc(=O)n(CC(=O)NCC(N)=O)n2)cc1.
What is the InChIKey of 2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide?
The InChIKey is WIKIMDYYJRNLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-2-11-3-5-12(6-4-11)13-7-8-16(23)20(19-13)10-15(22)18-9-14(17)21/h3-8H,2,9-10H2,1H3,(H2,17,21)(H,18,22).
What are the key properties of 2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide?
2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide has a molecular weight of 314.35 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide is sourced from PubChem (CID 121051022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).