[2-methyl-2-[(3-methylphenyl)methyl]pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone

C19H23N3O — CID 136557602

IUPAC[2-methyl-2-[(3-methylphenyl)methyl]pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone
SMILESCc1cccc(CC2(C)CCCN2C(=O)c2nccnc2C)c1
InChIInChI=1S/C19H23N3O/c1-14-6-4-7-16(12-14)13-19(3)8-5-11-22(19)18(23)17-15(2)20-9-10-21-17/h4,6-7,9-10,12H,5,8,11,13H2,1-3H3
InChIKeyNGKUUSPMVZTHBN-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.33
Rot. Bonds3

About [2-methyl-2-[(3-methylphenyl)methyl]pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone

[2-methyl-2-[(3-methylphenyl)methyl]pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone (PubChem CID 136557602) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is [2-methyl-2-[(3-methylphenyl)methyl]pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[2-methyl-2-[(3-methylphenyl)methyl]pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone
PubChem CID136557602
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name[2-methyl-2-[(3-methylphenyl)methyl]pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone
SMILESCc1cccc(CC2(C)CCCN2C(=O)c2nccnc2C)c1
InChIInChI=1S/C19H23N3O/c1-14-6-4-7-16(12-14)13-19(3)8-5-11-22(19)18(23)17-15(2)20-9-10-21-17/h4,6-7,9-10,12H,5,8,11,13H2,1-3H3
InChIKeyNGKUUSPMVZTHBN-UHFFFAOYSA-N
XLogP3.33
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-[(3-methylphenyl)methyl]pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone?
The IUPAC name of [2-methyl-2-[(3-methylphenyl)methyl]pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone (CID 136557602) is [2-methyl-2-[(3-methylphenyl)methyl]pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [2-methyl-2-[(3-methylphenyl)methyl]pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone?
The canonical SMILES for [2-methyl-2-[(3-methylphenyl)methyl]pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone is Cc1cccc(CC2(C)CCCN2C(=O)c2nccnc2C)c1.
What is the InChIKey of [2-methyl-2-[(3-methylphenyl)methyl]pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone?
The InChIKey is NGKUUSPMVZTHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-6-4-7-16(12-14)13-19(3)8-5-11-22(19)18(23)17-15(2)20-9-10-21-17/h4,6-7,9-10,12H,5,8,11,13H2,1-3H3.
What are the key properties of [2-methyl-2-[(3-methylphenyl)methyl]pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone?
[2-methyl-2-[(3-methylphenyl)methyl]pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone has a molecular weight of 309.41 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-[(3-methylphenyl)methyl]pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 136557602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).