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

C16H20N4O2 — CID 71598180

IUPAC2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide
SMILESCC1=NN(CC(=O)N/N=C(\C)c2ccc(C)cc2)C(=O)CC1
InChIInChI=1S/C16H20N4O2/c1-11-4-7-14(8-5-11)13(3)17-18-15(21)10-20-16(22)9-6-12(2)19-20/h4-5,7-8H,6,9-10H2,1-3H3,(H,18,21)/b17-13+
InChIKeyLKDQXJACACAOLV-GHRIWEEISA-N
MW300.36 g/mol
LogP1.83
Rot. Bonds4

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

2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide (PubChem CID 71598180) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide
PubChem CID71598180
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide
SMILESCC1=NN(CC(=O)N/N=C(\C)c2ccc(C)cc2)C(=O)CC1
InChIInChI=1S/C16H20N4O2/c1-11-4-7-14(8-5-11)13(3)17-18-15(21)10-20-16(22)9-6-12(2)19-20/h4-5,7-8H,6,9-10H2,1-3H3,(H,18,21)/b17-13+
InChIKeyLKDQXJACACAOLV-GHRIWEEISA-N
XLogP1.83
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.83
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 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide (CID 71598180) is 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide is CC1=NN(CC(=O)N/N=C(\C)c2ccc(C)cc2)C(=O)CC1.
What is the InChIKey of 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide?
The InChIKey is LKDQXJACACAOLV-GHRIWEEISA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-4-7-14(8-5-11)13(3)17-18-15(21)10-20-16(22)9-6-12(2)19-20/h4-5,7-8H,6,9-10H2,1-3H3,(H,18,21)/b17-13+.
What are the key properties of 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide?
2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide has a molecular weight of 300.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 71598180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).