1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione

C19H18N2O2 — CID 22520187

IUPAC1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
SMILESCc1cccc(Cn2ccn(Cc3ccccc3)c(=O)c2=O)c1
InChIInChI=1S/C19H18N2O2/c1-15-6-5-9-17(12-15)14-21-11-10-20(18(22)19(21)23)13-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3
InChIKeyXJNVFRRBLQCDBG-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.42
Rot. Bonds4

About 1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione

1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione (PubChem CID 22520187) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
PubChem CID22520187
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
SMILESCc1cccc(Cn2ccn(Cc3ccccc3)c(=O)c2=O)c1
InChIInChI=1S/C19H18N2O2/c1-15-6-5-9-17(12-15)14-21-11-10-20(18(22)19(21)23)13-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3
InChIKeyXJNVFRRBLQCDBG-UHFFFAOYSA-N
XLogP2.42
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 174323463
1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
CID 7286758
1-(3,4-dimethoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
CID 22520485
N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-N-phenylpyridine-3-carboxamide
CID 7598420
5-benzyl-2-methylfuro[3,2-c]pyridin-4-one
CID 118027012
1-[(3-methylphenyl)methyl]pyrrole-2,5-dione
CID 22989002
3-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]benzoic acid
CID 62929606
5-iodo-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 79777705
1-[[3-(aminomethyl)phenyl]methyl]-3-methylpyridin-2-one
CID 63172505
2-(4-benzyl-2,3-dioxopyrazin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 6625783
1-but-2-ynyl-4-[(3-chlorophenyl)methyl]pyrazine-2,3-dione
CID 163349730
1-benzyl-2-methylpyridin-4-one
CID 154013206

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione?
The IUPAC name of 1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione (CID 22520187) is 1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione?
The canonical SMILES for 1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione is Cc1cccc(Cn2ccn(Cc3ccccc3)c(=O)c2=O)c1.
What is the InChIKey of 1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione?
The InChIKey is XJNVFRRBLQCDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-15-6-5-9-17(12-15)14-21-11-10-20(18(22)19(21)23)13-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3.
What are the key properties of 1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione?
1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione has a molecular weight of 306.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione is sourced from PubChem (CID 22520187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).