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

C20H21N3O4 — CID 20941640

IUPAC1-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one
SMILESCOc1ccccc1CNc1nccn(-c2ccc(OC)c(OC)c2)c1=O
InChIInChI=1S/C20H21N3O4/c1-25-16-7-5-4-6-14(16)13-22-19-20(24)23(11-10-21-19)15-8-9-17(26-2)18(12-15)27-3/h4-12H,13H2,1-3H3,(H,21,22)
InChIKeyKCTXTPFISQRNQS-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.87
Rot. Bonds7

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

1-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one (PubChem CID 20941640) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one
PubChem CID20941640
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one
SMILESCOc1ccccc1CNc1nccn(-c2ccc(OC)c(OC)c2)c1=O
InChIInChI=1S/C20H21N3O4/c1-25-16-7-5-4-6-14(16)13-22-19-20(24)23(11-10-21-19)15-8-9-17(26-2)18(12-15)27-3/h4-12H,13H2,1-3H3,(H,21,22)
InChIKeyKCTXTPFISQRNQS-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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Related Compounds

3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one
CID 18591886
3-[(3,4-dimethoxyphenyl)methylamino]-1-(3,5-dimethylphenyl)pyrazin-2-one
CID 16824606
3-[(2-chlorophenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one
CID 20941631
3-[(2-chlorophenyl)methylamino]-1-(3,4-dimethylphenyl)pyrazin-2-one
CID 20941598
3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one
CID 20941622
4-[2-[[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 20941642
1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one
CID 18591923
1-(3,5-dimethoxyphenyl)-3-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]urea
CID 53118349
3-(benzylamino)-1-(2-methoxyphenyl)pyrazin-2-one
CID 18591898
3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-propan-2-ylphenyl)pyrazin-2-one
CID 46337598
N-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-4-carboxamide
CID 53118521
3-[(2-methoxyphenyl)methylamino]-1H-pyrazin-2-one
CID 115650170

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one (CID 20941640) is 1-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one is COc1ccccc1CNc1nccn(-c2ccc(OC)c(OC)c2)c1=O.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one?
The InChIKey is KCTXTPFISQRNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-25-16-7-5-4-6-14(16)13-22-19-20(24)23(11-10-21-19)15-8-9-17(26-2)18(12-15)27-3/h4-12H,13H2,1-3H3,(H,21,22).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one?
1-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methylamino]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 1-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one is sourced from PubChem (CID 20941640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).