3-[(3,4-dimethoxyphenyl)methylamino]-1-(3,5-dimethylphenyl)pyrazin-2-one

C21H23N3O3 — CID 16824606

IUPAC3-[(3,4-dimethoxyphenyl)methylamino]-1-(3,5-dimethylphenyl)pyrazin-2-one
SMILESCOc1ccc(CNc2nccn(-c3cc(C)cc(C)c3)c2=O)cc1OC
InChIInChI=1S/C21H23N3O3/c1-14-9-15(2)11-17(10-14)24-8-7-22-20(21(24)25)23-13-16-5-6-18(26-3)19(12-16)27-4/h5-12H,13H2,1-4H3,(H,22,23)
InChIKeyPCILDDCZKSWXMY-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.48
Rot. Bonds6

About 3-[(3,4-dimethoxyphenyl)methylamino]-1-(3,5-dimethylphenyl)pyrazin-2-one

3-[(3,4-dimethoxyphenyl)methylamino]-1-(3,5-dimethylphenyl)pyrazin-2-one (PubChem CID 16824606) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)methylamino]-1-(3,5-dimethylphenyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methylamino]-1-(3,5-dimethylphenyl)pyrazin-2-one
PubChem CID16824606
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3-[(3,4-dimethoxyphenyl)methylamino]-1-(3,5-dimethylphenyl)pyrazin-2-one
SMILESCOc1ccc(CNc2nccn(-c3cc(C)cc(C)c3)c2=O)cc1OC
InChIInChI=1S/C21H23N3O3/c1-14-9-15(2)11-17(10-14)24-8-7-22-20(21(24)25)23-13-16-5-6-18(26-3)19(12-16)27-4/h5-12H,13H2,1-4H3,(H,22,23)
InChIKeyPCILDDCZKSWXMY-UHFFFAOYSA-N
XLogP3.48
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(3,4-dimethoxyphenyl)methylamino]-1-(3,5-dimethylphenyl)pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one
CID 18591886
3-(benzylamino)-1-(3,5-dimethylphenyl)pyrazin-2-one
CID 20941608
1-(4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one
CID 20941568
1-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one
CID 20941640
3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one
CID 20941622
3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-propan-2-ylphenyl)pyrazin-2-one
CID 46337598
1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one
CID 18591923
4-[2-[[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 20941642
3-(benzylamino)-1-(2-methoxyphenyl)pyrazin-2-one
CID 18591898
3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methoxyphenyl)pyrazin-2-one
CID 46337486
1-(3-fluoro-4-methylphenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one
CID 16824611
N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3,4,5-trimethoxybenzamide
CID 22425056

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)methylamino]-1-(3,5-dimethylphenyl)pyrazin-2-one?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methylamino]-1-(3,5-dimethylphenyl)pyrazin-2-one (CID 16824606) is 3-[(3,4-dimethoxyphenyl)methylamino]-1-(3,5-dimethylphenyl)pyrazin-2-one.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methylamino]-1-(3,5-dimethylphenyl)pyrazin-2-one?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methylamino]-1-(3,5-dimethylphenyl)pyrazin-2-one is COc1ccc(CNc2nccn(-c3cc(C)cc(C)c3)c2=O)cc1OC.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methylamino]-1-(3,5-dimethylphenyl)pyrazin-2-one?
The InChIKey is PCILDDCZKSWXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-9-15(2)11-17(10-14)24-8-7-22-20(21(24)25)23-13-16-5-6-18(26-3)19(12-16)27-4/h5-12H,13H2,1-4H3,(H,22,23).
What are the key properties of 3-[(3,4-dimethoxyphenyl)methylamino]-1-(3,5-dimethylphenyl)pyrazin-2-one?
3-[(3,4-dimethoxyphenyl)methylamino]-1-(3,5-dimethylphenyl)pyrazin-2-one has a molecular weight of 365.43 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)methylamino]-1-(3,5-dimethylphenyl)pyrazin-2-one is sourced from PubChem (CID 16824606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).