2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide

C24H21N3O4 — CID 7671864

IUPAC2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide
SMILESCOc1ccc(OC)c(-c2ccc(=O)n(CC(=O)Nc3cccc4ccccc34)n2)c1
InChIInChI=1S/C24H21N3O4/c1-30-17-10-12-22(31-2)19(14-17)21-11-13-24(29)27(26-21)15-23(28)25-20-9-5-7-16-6-3-4-8-18(16)20/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyUZMZDEKMDPVFIY-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.72
Rot. Bonds6

About 2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide

2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide (PubChem CID 7671864) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide
PubChem CID7671864
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide
SMILESCOc1ccc(OC)c(-c2ccc(=O)n(CC(=O)Nc3cccc4ccccc34)n2)c1
InChIInChI=1S/C24H21N3O4/c1-30-17-10-12-22(31-2)19(14-17)21-11-13-24(29)27(26-21)15-23(28)25-20-9-5-7-16-6-3-4-8-18(16)20/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyUZMZDEKMDPVFIY-UHFFFAOYSA-N
XLogP3.72
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide (CID 7671864) is 2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide is COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)Nc3cccc4ccccc34)n2)c1.
What is the InChIKey of 2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide?
The InChIKey is UZMZDEKMDPVFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-30-17-10-12-22(31-2)19(14-17)21-11-13-24(29)27(26-21)15-23(28)25-20-9-5-7-16-6-3-4-8-18(16)20/h3-14H,15H2,1-2H3,(H,25,28).
What are the key properties of 2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide?
2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 415.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 7671864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).