1-(3-fluoro-4-methylphenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one

C19H18FN3O2 — CID 16824611

IUPAC1-(3-fluoro-4-methylphenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one
SMILESCOc1cccc(CNc2nccn(-c3ccc(C)c(F)c3)c2=O)c1
InChIInChI=1S/C19H18FN3O2/c1-13-6-7-15(11-17(13)20)23-9-8-21-18(19(23)24)22-12-14-4-3-5-16(10-14)25-2/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeySEYOWEDLCUAEOL-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.30
Rot. Bonds5

About 1-(3-fluoro-4-methylphenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one

1-(3-fluoro-4-methylphenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one (PubChem CID 16824611) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one
PubChem CID16824611
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one
SMILESCOc1cccc(CNc2nccn(-c3ccc(C)c(F)c3)c2=O)c1
InChIInChI=1S/C19H18FN3O2/c1-13-6-7-15(11-17(13)20)23-9-8-21-18(19(23)24)22-12-14-4-3-5-16(10-14)25-2/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeySEYOWEDLCUAEOL-UHFFFAOYSA-N
XLogP3.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one
CID 46337513
3-[(4-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one
CID 20941670
N-cyclopropyl-3-[3-[(3-methoxyphenyl)methylamino]-2-oxopyrazin-1-yl]-4-methylbenzamide
CID 66689876
1-(3-fluoro-4-methylphenyl)-3-hydrazinylpyrazin-2-one
CID 112708450
3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one
CID 18591886
3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one
CID 20941622
3-[2-(3,4-diethoxyphenyl)ethylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one
CID 18592076
3-(benzylamino)-1-(3-chloro-4-fluorophenyl)pyrazin-2-one
CID 46337507
3-hydrazinyl-1-(3-methoxyphenyl)pyrazin-2-one
CID 112708403
3-(benzylamino)-1-(3,5-dimethylphenyl)pyrazin-2-one
CID 20941608
N-[(3-fluoro-4-methylphenyl)methyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 41472985
3-[(3,4-dimethoxyphenyl)methylamino]-1-(3,5-dimethylphenyl)pyrazin-2-one
CID 16824606

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one (CID 16824611) is 1-(3-fluoro-4-methylphenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one is COc1cccc(CNc2nccn(-c3ccc(C)c(F)c3)c2=O)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one?
The InChIKey is SEYOWEDLCUAEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-13-6-7-15(11-17(13)20)23-9-8-21-18(19(23)24)22-12-14-4-3-5-16(10-14)25-2/h3-11H,12H2,1-2H3,(H,21,22).
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one?
1-(3-fluoro-4-methylphenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one has a molecular weight of 339.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one is sourced from PubChem (CID 16824611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).