3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one

C12H17N3O — CID 114956294

IUPAC3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one
SMILESCNC1CCN(Cc2cnccc2C)C1=O
InChIInChI=1S/C12H17N3O/c1-9-3-5-14-7-10(9)8-15-6-4-11(13-2)12(15)16/h3,5,7,11,13H,4,6,8H2,1-2H3
InChIKeyOQSZSACFKFTHRD-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.71
Rot. Bonds3

About 3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one

3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one (PubChem CID 114956294) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one
PubChem CID114956294
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one
SMILESCNC1CCN(Cc2cnccc2C)C1=O
InChIInChI=1S/C12H17N3O/c1-9-3-5-14-7-10(9)8-15-6-4-11(13-2)12(15)16/h3,5,7,11,13H,4,6,8H2,1-2H3
InChIKeyOQSZSACFKFTHRD-UHFFFAOYSA-N
XLogP0.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-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

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one (CID 114956294) is 3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one is CNC1CCN(Cc2cnccc2C)C1=O.
What is the InChIKey of 3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one?
The InChIKey is OQSZSACFKFTHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-3-5-14-7-10(9)8-15-6-4-11(13-2)12(15)16/h3,5,7,11,13H,4,6,8H2,1-2H3.
What are the key properties of 3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one?
3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one has a molecular weight of 219.29 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 114956294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).