1-[2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone

C18H21N3O — CID 110267974

IUPAC1-[2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1cncc(Cc2cccc(C)c2)n1
InChIInChI=1S/C18H21N3O/c1-13-5-3-6-15(9-13)10-16-11-19-12-17(20-16)18-7-4-8-21(18)14(2)22/h3,5-6,9,11-12,18H,4,7-8,10H2,1-2H3
InChIKeyBVNOALAMJNLGBS-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.06
Rot. Bonds3

About 1-[2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone

1-[2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110267974) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID110267974
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-[2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1cncc(Cc2cccc(C)c2)n1
InChIInChI=1S/C18H21N3O/c1-13-5-3-6-15(9-13)10-16-11-19-12-17(20-16)18-7-4-8-21(18)14(2)22/h3,5-6,9,11-12,18H,4,7-8,10H2,1-2H3
InChIKeyBVNOALAMJNLGBS-UHFFFAOYSA-N
XLogP3.06
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110267976
[2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 110151146
[(2S)-2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone
CID 129453763
[3-[(2-methylimidazol-1-yl)methyl]phenyl]-[(2R)-2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 129454607
N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-(3-fluorophenyl)acetamide
CID 124979320
1-[2-[6-[[methyl(2-phenylethyl)amino]methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110117305
1-[(2S)-2-[6-[[methyl(2-phenylethyl)amino]methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 124940144
1-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]propan-1-one
CID 125008810
1-[2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]propan-1-one
CID 110094594
N-[(2R)-2-fluoro-1-[(2R)-2-[6-[(3-fluorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]acetamide
CID 129454240
N-[(2R)-2-fluoro-1-[(2S)-2-[6-[(3-fluorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]acetamide
CID 129454237
[2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
CID 110151815

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone (CID 110267974) is 1-[2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1cncc(Cc2cccc(C)c2)n1.
What is the InChIKey of 1-[2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is BVNOALAMJNLGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-5-3-6-15(9-13)10-16-11-19-12-17(20-16)18-7-4-8-21(18)14(2)22/h3,5-6,9,11-12,18H,4,7-8,10H2,1-2H3.
What are the key properties of 1-[2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
1-[2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 295.39 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110267974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).