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

C20H21N3O4 — CID 18591886

IUPAC3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one
SMILESCOc1ccc(-n2ccnc(NCc3ccc(OC)c(OC)c3)c2=O)cc1
InChIInChI=1S/C20H21N3O4/c1-25-16-7-5-15(6-8-16)23-11-10-21-19(20(23)24)22-13-14-4-9-17(26-2)18(12-14)27-3/h4-12H,13H2,1-3H3,(H,21,22)
InChIKeyXSHWOOBTXVUGRA-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.87
Rot. Bonds7

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

3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one (PubChem CID 18591886) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one
PubChem CID18591886
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one
SMILESCOc1ccc(-n2ccnc(NCc3ccc(OC)c(OC)c3)c2=O)cc1
InChIInChI=1S/C20H21N3O4/c1-25-16-7-5-15(6-8-16)23-11-10-21-19(20(23)24)22-13-14-4-9-17(26-2)18(12-14)27-3/h4-12H,13H2,1-3H3,(H,21,22)
InChIKeyXSHWOOBTXVUGRA-UHFFFAOYSA-N
XLogP2.87
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one (CID 18591886) is 3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one is COc1ccc(-n2ccnc(NCc3ccc(OC)c(OC)c3)c2=O)cc1.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one?
The InChIKey is XSHWOOBTXVUGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-25-16-7-5-15(6-8-16)23-11-10-21-19(20(23)24)22-13-14-4-9-17(26-2)18(12-14)27-3/h4-12H,13H2,1-3H3,(H,21,22).
What are the key properties of 3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one?
3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one has a molecular weight of 367.41 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one is sourced from PubChem (CID 18591886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).