N-benzyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide

C21H21N3O3 — CID 121050752

IUPACN-benzyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
SMILESCOc1ccccc1-c1ccc(=O)n(CC(=O)N(C)Cc2ccccc2)n1
InChIInChI=1S/C21H21N3O3/c1-23(14-16-8-4-3-5-9-16)21(26)15-24-20(25)13-12-18(22-24)17-10-6-7-11-19(17)27-2/h3-13H,14-15H2,1-2H3
InChIKeyRKLNCSIKQCKFON-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.58
Rot. Bonds6

About N-benzyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide

N-benzyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide (PubChem CID 121050752) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-benzyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
PubChem CID121050752
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-benzyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
SMILESCOc1ccccc1-c1ccc(=O)n(CC(=O)N(C)Cc2ccccc2)n1
InChIInChI=1S/C21H21N3O3/c1-23(14-16-8-4-3-5-9-16)21(26)15-24-20(25)13-12-18(22-24)17-10-6-7-11-19(17)27-2/h3-13H,14-15H2,1-2H3
InChIKeyRKLNCSIKQCKFON-UHFFFAOYSA-N
XLogP2.58
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 51048621
N-benzyl-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 51049159
N,N-dibenzyl-2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121052217
N-benzyl-N-methyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052466
2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 7662633
N-(4-chlorophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662883
N-benzyl-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050299
N-(3,5-dimethylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662639
6-(2-methoxyphenyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one
CID 7662773
N-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662660
benzyl 2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetate
CID 7671802
N-(3,4-dichlorophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662891

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide (CID 121050752) is N-benzyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide is COc1ccccc1-c1ccc(=O)n(CC(=O)N(C)Cc2ccccc2)n1.
What is the InChIKey of N-benzyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide?
The InChIKey is RKLNCSIKQCKFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-23(14-16-8-4-3-5-9-16)21(26)15-24-20(25)13-12-18(22-24)17-10-6-7-11-19(17)27-2/h3-13H,14-15H2,1-2H3.
What are the key properties of N-benzyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide?
N-benzyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide has a molecular weight of 363.42 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 121050752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).