N-[(E)-(4-acetylphenyl)methylideneamino]-2-(4,6-dioxo-1H-pyridazin-3-yl)acetamide

C15H14N4O4 — CID 58586336

IUPACN-[(E)-(4-acetylphenyl)methylideneamino]-2-(4,6-dioxo-1H-pyridazin-3-yl)acetamide
SMILESCC(=O)c1ccc(/C=N/NC(=O)CC2=NNC(=O)CC2=O)cc1
InChIInChI=1S/C15H14N4O4/c1-9(20)11-4-2-10(3-5-11)8-16-18-14(22)6-12-13(21)7-15(23)19-17-12/h2-5,8H,6-7H2,1H3,(H,18,22)(H,19,23)/b16-8+
InChIKeyGQIJJTQACOTFOO-LZYBPNLTSA-N
MW314.30 g/mol
LogP0.17
Rot. Bonds5

About N-[(E)-(4-acetylphenyl)methylideneamino]-2-(4,6-dioxo-1H-pyridazin-3-yl)acetamide

N-[(E)-(4-acetylphenyl)methylideneamino]-2-(4,6-dioxo-1H-pyridazin-3-yl)acetamide (PubChem CID 58586336) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is N-[(E)-(4-acetylphenyl)methylideneamino]-2-(4,6-dioxo-1H-pyridazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-acetylphenyl)methylideneamino]-2-(4,6-dioxo-1H-pyridazin-3-yl)acetamide
PubChem CID58586336
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC NameN-[(E)-(4-acetylphenyl)methylideneamino]-2-(4,6-dioxo-1H-pyridazin-3-yl)acetamide
SMILESCC(=O)c1ccc(/C=N/NC(=O)CC2=NNC(=O)CC2=O)cc1
InChIInChI=1S/C15H14N4O4/c1-9(20)11-4-2-10(3-5-11)8-16-18-14(22)6-12-13(21)7-15(23)19-17-12/h2-5,8H,6-7H2,1H3,(H,18,22)(H,19,23)/b16-8+
InChIKeyGQIJJTQACOTFOO-LZYBPNLTSA-N
XLogP0.17
TPSA117.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethoxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide
CID 4285512
N-[(2-hydroxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide
CID 677125
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide
CID 136904961
N-[(Z)-(4-bromophenyl)methylideneamino]-2-[(4S)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]acetamide
CID 5415045
N-[(E)-(4-bromophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
CID 126368486
[4-[(Z)-[[2-(4-hydroxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 110515633
N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 136704221
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]propanamide
CID 136780667
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide
CID 135699718
N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide
CID 3539768
N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide
CID 3314148
N,N'-bis[(Z)-(4-fluorophenyl)methylideneamino]decanediamide
CID 6277081

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-acetylphenyl)methylideneamino]-2-(4,6-dioxo-1H-pyridazin-3-yl)acetamide?
The IUPAC name of N-[(E)-(4-acetylphenyl)methylideneamino]-2-(4,6-dioxo-1H-pyridazin-3-yl)acetamide (CID 58586336) is N-[(E)-(4-acetylphenyl)methylideneamino]-2-(4,6-dioxo-1H-pyridazin-3-yl)acetamide.
What is the SMILES notation for N-[(E)-(4-acetylphenyl)methylideneamino]-2-(4,6-dioxo-1H-pyridazin-3-yl)acetamide?
The canonical SMILES for N-[(E)-(4-acetylphenyl)methylideneamino]-2-(4,6-dioxo-1H-pyridazin-3-yl)acetamide is CC(=O)c1ccc(/C=N/NC(=O)CC2=NNC(=O)CC2=O)cc1.
What is the InChIKey of N-[(E)-(4-acetylphenyl)methylideneamino]-2-(4,6-dioxo-1H-pyridazin-3-yl)acetamide?
The InChIKey is GQIJJTQACOTFOO-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-9(20)11-4-2-10(3-5-11)8-16-18-14(22)6-12-13(21)7-15(23)19-17-12/h2-5,8H,6-7H2,1H3,(H,18,22)(H,19,23)/b16-8+.
What are the key properties of N-[(E)-(4-acetylphenyl)methylideneamino]-2-(4,6-dioxo-1H-pyridazin-3-yl)acetamide?
N-[(E)-(4-acetylphenyl)methylideneamino]-2-(4,6-dioxo-1H-pyridazin-3-yl)acetamide has a molecular weight of 314.30 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-acetylphenyl)methylideneamino]-2-(4,6-dioxo-1H-pyridazin-3-yl)acetamide is sourced from PubChem (CID 58586336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).