N,N-dibenzyl-2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide

C28H27N3O4 — CID 121052217

IUPACN,N-dibenzyl-2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(OC)c(-c2ccc(=O)n(CC(=O)N(Cc3ccccc3)Cc3ccccc3)n2)c1
InChIInChI=1S/C28H27N3O4/c1-34-23-13-15-26(35-2)24(17-23)25-14-16-27(32)31(29-25)20-28(33)30(18-21-9-5-3-6-10-21)19-22-11-7-4-8-12-22/h3-17H,18-20H2,1-2H3
InChIKeyUSRFMXJVRFERBA-UHFFFAOYSA-N
MW469.54 g/mol
LogP4.16
Rot. Bonds9

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

N,N-dibenzyl-2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 121052217) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is N,N-dibenzyl-2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID121052217
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC NameN,N-dibenzyl-2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(OC)c(-c2ccc(=O)n(CC(=O)N(Cc3ccccc3)Cc3ccccc3)n2)c1
InChIInChI=1S/C28H27N3O4/c1-34-23-13-15-26(35-2)24(17-23)25-14-16-27(32)31(29-25)20-28(33)30(18-21-9-5-3-6-10-21)19-22-11-7-4-8-12-22/h3-17H,18-20H2,1-2H3
InChIKeyUSRFMXJVRFERBA-UHFFFAOYSA-N
XLogP4.16
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetate
CID 7671802
2-benzyl-6-(2,5-dimethoxyphenyl)pyridazin-3-one
CID 7671786
N-benzyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 121050752
N-benzyl-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 51049159
benzyl 2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetate
CID 7666486
N-benzyl-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 51048621
6-(2,5-dimethoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 121052184
6-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 7671840
N-benzyl-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050299
6-(2,5-dimethoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 7671838
2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7666583
N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 46923334

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N,N-dibenzyl-2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide (CID 121052217) is N,N-dibenzyl-2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N,N-dibenzyl-2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N,N-dibenzyl-2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide is COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)N(Cc3ccccc3)Cc3ccccc3)n2)c1.
What is the InChIKey of N,N-dibenzyl-2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is USRFMXJVRFERBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4/c1-34-23-13-15-26(35-2)24(17-23)25-14-16-27(32)31(29-25)20-28(33)30(18-21-9-5-3-6-10-21)19-22-11-7-4-8-12-22/h3-17H,18-20H2,1-2H3.
What are the key properties of N,N-dibenzyl-2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
N,N-dibenzyl-2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 469.54 g/mol, XLogP of 4.16, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 121052217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).