3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one

C21H23N3O4 — CID 20941622

IUPAC3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one
SMILESCOc1cccc(-n2ccnc(NCCc3ccc(OC)c(OC)c3)c2=O)c1
InChIInChI=1S/C21H23N3O4/c1-26-17-6-4-5-16(14-17)24-12-11-23-20(21(24)25)22-10-9-15-7-8-18(27-2)19(13-15)28-3/h4-8,11-14H,9-10H2,1-3H3,(H,22,23)
InChIKeyRLOYPCKFKKWANM-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.91
Rot. Bonds8

About 3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one

3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one (PubChem CID 20941622) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one
PubChem CID20941622
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one
SMILESCOc1cccc(-n2ccnc(NCCc3ccc(OC)c(OC)c3)c2=O)c1
InChIInChI=1S/C21H23N3O4/c1-26-17-6-4-5-16(14-17)24-12-11-23-20(21(24)25)22-10-9-15-7-8-18(27-2)19(13-15)28-3/h4-8,11-14H,9-10H2,1-3H3,(H,22,23)
InChIKeyRLOYPCKFKKWANM-UHFFFAOYSA-N
XLogP2.91
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one
CID 18591923
3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-propan-2-ylphenyl)pyrazin-2-one
CID 46337598
4-[2-[[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 20941642
3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one
CID 18591886
3-[2-(3-methoxyphenyl)ethylamino]-1-methylpyrazin-2-one
CID 103702647
3-[(3,4-dimethoxyphenyl)methylamino]-1-(3,5-dimethylphenyl)pyrazin-2-one
CID 16824606
3-hydrazinyl-1-(3-methoxyphenyl)pyrazin-2-one
CID 112708403
1-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one
CID 20941640
1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 20941589
3-[2-(3,4-diethoxyphenyl)ethylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one
CID 18592076
1-(3-fluoro-4-methylphenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one
CID 16824611
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine
CID 62253339

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one (CID 20941622) is 3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one is COc1cccc(-n2ccnc(NCCc3ccc(OC)c(OC)c3)c2=O)c1.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one?
The InChIKey is RLOYPCKFKKWANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-26-17-6-4-5-16(14-17)24-12-11-23-20(21(24)25)22-10-9-15-7-8-18(27-2)19(13-15)28-3/h4-8,11-14H,9-10H2,1-3H3,(H,22,23).
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one?
3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one has a molecular weight of 381.43 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one is sourced from PubChem (CID 20941622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).