2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylacetamide

C20H19N3O3 — CID 3466717

IUPAC2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylacetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)N(C)c3ccccc3)n2)cc1
InChIInChI=1S/C20H19N3O3/c1-22(16-6-4-3-5-7-16)20(25)14-23-19(24)13-12-18(21-23)15-8-10-17(26-2)11-9-15/h3-13H,14H2,1-2H3
InChIKeyMMBQXKPASUAKBE-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.58
Rot. Bonds5

About 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylacetamide

2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylacetamide (PubChem CID 3466717) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylacetamide
PubChem CID3466717
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylacetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)N(C)c3ccccc3)n2)cc1
InChIInChI=1S/C20H19N3O3/c1-22(16-6-4-3-5-7-16)20(25)14-23-19(24)13-12-18(21-23)15-8-10-17(26-2)11-9-15/h3-13H,14H2,1-2H3
InChIKeyMMBQXKPASUAKBE-UHFFFAOYSA-N
XLogP2.58
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylacetamide (CID 3466717) is 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylacetamide is COc1ccc(-c2ccc(=O)n(CC(=O)N(C)c3ccccc3)n2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylacetamide?
The InChIKey is MMBQXKPASUAKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-22(16-6-4-3-5-7-16)20(25)14-23-19(24)13-12-18(21-23)15-8-10-17(26-2)11-9-15/h3-13H,14H2,1-2H3.
What are the key properties of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylacetamide?
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylacetamide has a molecular weight of 349.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 3466717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).