N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

C21H21N3O3 — CID 4993799

IUPACN-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3C)n2)cc1
InChIInChI=1S/C21H21N3O3/c1-14-4-9-18(15(2)12-14)22-20(25)13-24-21(26)11-10-19(23-24)16-5-7-17(27-3)8-6-16/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyLRZLGAAEGWKLMC-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.17
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 4993799) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID4993799
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3C)n2)cc1
InChIInChI=1S/C21H21N3O3/c1-14-4-9-18(15(2)12-14)22-20(25)13-24-21(26)11-10-19(23-24)16-5-7-17(27-3)8-6-16/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyLRZLGAAEGWKLMC-UHFFFAOYSA-N
XLogP3.17
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (CID 4993799) is N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3C)n2)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is LRZLGAAEGWKLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-4-9-18(15(2)12-14)22-20(25)13-24-21(26)11-10-19(23-24)16-5-7-17(27-3)8-6-16/h4-12H,13H2,1-3H3,(H,22,25).
What are the key properties of N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 4993799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).