N-(3,5-dimethylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

C21H21N3O3 — CID 7662639

IUPACN-(3,5-dimethylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccccc1-c1ccc(=O)n(CC(=O)Nc2cc(C)cc(C)c2)n1
InChIInChI=1S/C21H21N3O3/c1-14-10-15(2)12-16(11-14)22-20(25)13-24-21(26)9-8-18(23-24)17-6-4-5-7-19(17)27-3/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyJLAOOCVHGQGQDR-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.17
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

N-(3,5-dimethylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 7662639) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID7662639
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(3,5-dimethylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccccc1-c1ccc(=O)n(CC(=O)Nc2cc(C)cc(C)c2)n1
InChIInChI=1S/C21H21N3O3/c1-14-10-15(2)12-16(11-14)22-20(25)13-24-21(26)9-8-18(23-24)17-6-4-5-7-19(17)27-3/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyJLAOOCVHGQGQDR-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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Related Compounds

2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 7662633
N-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662660
N-(3,4-dichlorophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662891
N-(4-chlorophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662883
2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7662654
N-(3-chloro-2-methylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662903
2-[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(3,4,5-trifluorophenyl)acetamide
CID 51054144
2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
CID 90545019
N-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052648
N-(4-methylphenyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7671928
N-(5-chloro-2-methoxyphenyl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 53370217
2-[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 51054764

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (CID 7662639) is N-(3,5-dimethylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is COc1ccccc1-c1ccc(=O)n(CC(=O)Nc2cc(C)cc(C)c2)n1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is JLAOOCVHGQGQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-10-15(2)12-16(11-14)22-20(25)13-24-21(26)9-8-18(23-24)17-6-4-5-7-19(17)27-3/h4-12H,13H2,1-3H3,(H,22,25).
What are the key properties of N-(3,5-dimethylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(3,5-dimethylphenyl)-2-[3-(2-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-(3,5-dimethylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 7662639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).