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

C21H21N3O5 — CID 4993788

IUPACN-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C21H21N3O5/c1-27-16-7-4-14(5-8-16)17-9-11-21(26)24(23-17)13-20(25)22-15-6-10-18(28-2)19(12-15)29-3/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyYICNPBAPSWUJLA-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.57
Rot. Bonds7

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

N-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 4993788) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID4993788
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C21H21N3O5/c1-27-16-7-4-14(5-8-16)17-9-11-21(26)24(23-17)13-20(25)22-15-6-10-18(28-2)19(12-15)29-3/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyYICNPBAPSWUJLA-UHFFFAOYSA-N
XLogP2.57
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (CID 4993788) is N-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(OC)c(OC)c3)n2)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is YICNPBAPSWUJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-27-16-7-4-14(5-8-16)17-9-11-21(26)24(23-17)13-20(25)22-15-6-10-18(28-2)19(12-15)29-3/h4-12H,13H2,1-3H3,(H,22,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 395.42 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 4993788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).