N-[(E)-benzylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide

C14H16N4O2 — CID 71597911

IUPACN-[(E)-benzylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide
SMILESCC1=NN(CC(=O)N/N=C/c2ccccc2)C(=O)CC1
InChIInChI=1S/C14H16N4O2/c1-11-7-8-14(20)18(17-11)10-13(19)16-15-9-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,16,19)/b15-9+
InChIKeyXYNIIPJCPIRJHI-OQLLNIDSSA-N
MW272.31 g/mol
LogP1.13
Rot. Bonds4

About N-[(E)-benzylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide

N-[(E)-benzylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide (PubChem CID 71597911) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide
PubChem CID71597911
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[(E)-benzylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide
SMILESCC1=NN(CC(=O)N/N=C/c2ccccc2)C(=O)CC1
InChIInChI=1S/C14H16N4O2/c1-11-7-8-14(20)18(17-11)10-13(19)16-15-9-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,16,19)/b15-9+
InChIKeyXYNIIPJCPIRJHI-OQLLNIDSSA-N
XLogP1.13
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide?
The IUPAC name of N-[(E)-benzylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide (CID 71597911) is N-[(E)-benzylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide is CC1=NN(CC(=O)N/N=C/c2ccccc2)C(=O)CC1.
What is the InChIKey of N-[(E)-benzylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide?
The InChIKey is XYNIIPJCPIRJHI-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-11-7-8-14(20)18(17-11)10-13(19)16-15-9-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,16,19)/b15-9+.
What are the key properties of N-[(E)-benzylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide?
N-[(E)-benzylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide has a molecular weight of 272.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide is sourced from PubChem (CID 71597911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).