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

C21H21N3O3 — CID 3525304

IUPACN-(3-ethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCCc1cccc(NC(=O)Cn2nc(-c3ccc(OC)cc3)ccc2=O)c1
InChIInChI=1S/C21H21N3O3/c1-3-15-5-4-6-17(13-15)22-20(25)14-24-21(26)12-11-19(23-24)16-7-9-18(27-2)10-8-16/h4-13H,3,14H2,1-2H3,(H,22,25)
InChIKeyHUERFCWLZUQAHR-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.12
Rot. Bonds6

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

N-(3-ethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 3525304) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID3525304
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(3-ethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCCc1cccc(NC(=O)Cn2nc(-c3ccc(OC)cc3)ccc2=O)c1
InChIInChI=1S/C21H21N3O3/c1-3-15-5-4-6-17(13-15)22-20(25)14-24-21(26)12-11-19(23-24)16-7-9-18(27-2)10-8-16/h4-13H,3,14H2,1-2H3,(H,22,25)
InChIKeyHUERFCWLZUQAHR-UHFFFAOYSA-N
XLogP3.12
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (CID 3525304) is N-(3-ethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is CCc1cccc(NC(=O)Cn2nc(-c3ccc(OC)cc3)ccc2=O)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is HUERFCWLZUQAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-3-15-5-4-6-17(13-15)22-20(25)14-24-21(26)12-11-19(23-24)16-7-9-18(27-2)10-8-16/h4-13H,3,14H2,1-2H3,(H,22,25).
What are the key properties of N-(3-ethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(3-ethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 3525304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).