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

C15H18N4O2 — CID 71597541

IUPAC2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
SMILESCC1=NN(CC(=O)N/N=C/c2ccc(C)cc2)C(=O)CC1
InChIInChI=1S/C15H18N4O2/c1-11-3-6-13(7-4-11)9-16-17-14(20)10-19-15(21)8-5-12(2)18-19/h3-4,6-7,9H,5,8,10H2,1-2H3,(H,17,20)/b16-9+
InChIKeyVHZPNNHISSKSSB-CXUHLZMHSA-N
MW286.34 g/mol
LogP1.44
Rot. Bonds4

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

2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-(4-methylphenyl)methylideneamino]acetamide (PubChem CID 71597541) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-(4-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
PubChem CID71597541
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
SMILESCC1=NN(CC(=O)N/N=C/c2ccc(C)cc2)C(=O)CC1
InChIInChI=1S/C15H18N4O2/c1-11-3-6-13(7-4-11)9-16-17-14(20)10-19-15(21)8-5-12(2)18-19/h3-4,6-7,9H,5,8,10H2,1-2H3,(H,17,20)/b16-9+
InChIKeyVHZPNNHISSKSSB-CXUHLZMHSA-N
XLogP1.44
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.44
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)-(4-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-(4-methylphenyl)methylideneamino]acetamide (CID 71597541) is 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-(4-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-(4-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-(4-methylphenyl)methylideneamino]acetamide is CC1=NN(CC(=O)N/N=C/c2ccc(C)cc2)C(=O)CC1.
What is the InChIKey of 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-(4-methylphenyl)methylideneamino]acetamide?
The InChIKey is VHZPNNHISSKSSB-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-3-6-13(7-4-11)9-16-17-14(20)10-19-15(21)8-5-12(2)18-19/h3-4,6-7,9H,5,8,10H2,1-2H3,(H,17,20)/b16-9+.
What are the key properties of 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-(4-methylphenyl)methylideneamino]acetamide?
2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-(4-methylphenyl)methylideneamino]acetamide has a molecular weight of 286.34 g/mol, XLogP of 1.44, 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)-(4-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 71597541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).