4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)butanamide

C24H27N3O4 — CID 16885410

IUPAC4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)butanamide
SMILESCCc1ccc(NC(=O)CCCn2nc(-c3ccc(OC)c(OC)c3)ccc2=O)cc1
InChIInChI=1S/C24H27N3O4/c1-4-17-7-10-19(11-8-17)25-23(28)6-5-15-27-24(29)14-12-20(26-27)18-9-13-21(30-2)22(16-18)31-3/h7-14,16H,4-6,15H2,1-3H3,(H,25,28)
InChIKeyHUFFYKJMFXLLDE-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.91
Rot. Bonds9

About 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)butanamide

4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)butanamide (PubChem CID 16885410) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)butanamide.

Molecular Properties

Compound Name4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)butanamide
PubChem CID16885410
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)butanamide
SMILESCCc1ccc(NC(=O)CCCn2nc(-c3ccc(OC)c(OC)c3)ccc2=O)cc1
InChIInChI=1S/C24H27N3O4/c1-4-17-7-10-19(11-8-17)25-23(28)6-5-15-27-24(29)14-12-20(26-27)18-9-13-21(30-2)22(16-18)31-3/h7-14,16H,4-6,15H2,1-3H3,(H,25,28)
InChIKeyHUFFYKJMFXLLDE-UHFFFAOYSA-N
XLogP3.91
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)butanamide?
The IUPAC name of 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)butanamide (CID 16885410) is 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)butanamide.
What is the SMILES notation for 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)butanamide?
The canonical SMILES for 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)butanamide is CCc1ccc(NC(=O)CCCn2nc(-c3ccc(OC)c(OC)c3)ccc2=O)cc1.
What is the InChIKey of 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)butanamide?
The InChIKey is HUFFYKJMFXLLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-4-17-7-10-19(11-8-17)25-23(28)6-5-15-27-24(29)14-12-20(26-27)18-9-13-21(30-2)22(16-18)31-3/h7-14,16H,4-6,15H2,1-3H3,(H,25,28).
What are the key properties of 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)butanamide?
4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)butanamide has a molecular weight of 421.50 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)butanamide is sourced from PubChem (CID 16885410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).