(3S)-1-methyl-3-(pyridin-2-ylmethylamino)pyrrolidin-2-one

C11H15N3O — CID 95365710

IUPAC(3S)-1-methyl-3-(pyridin-2-ylmethylamino)pyrrolidin-2-one
SMILESCN1CC[C@H](NCc2ccccn2)C1=O
InChIInChI=1S/C11H15N3O/c1-14-7-5-10(11(14)15)13-8-9-4-2-3-6-12-9/h2-4,6,10,13H,5,7-8H2,1H3/t10-/m0/s1
InChIKeyAGXKAYCLQCLQML-JTQLQIEISA-N
MW205.26 g/mol
LogP0.40
Rot. Bonds3

About (3S)-1-methyl-3-(pyridin-2-ylmethylamino)pyrrolidin-2-one

(3S)-1-methyl-3-(pyridin-2-ylmethylamino)pyrrolidin-2-one (PubChem CID 95365710) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is (3S)-1-methyl-3-(pyridin-2-ylmethylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-methyl-3-(pyridin-2-ylmethylamino)pyrrolidin-2-one
PubChem CID95365710
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name(3S)-1-methyl-3-(pyridin-2-ylmethylamino)pyrrolidin-2-one
SMILESCN1CC[C@H](NCc2ccccn2)C1=O
InChIInChI=1S/C11H15N3O/c1-14-7-5-10(11(14)15)13-8-9-4-2-3-6-12-9/h2-4,6,10,13H,5,7-8H2,1H3/t10-/m0/s1
InChIKeyAGXKAYCLQCLQML-JTQLQIEISA-N
XLogP0.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-methyl-3-(pyridin-2-ylmethylamino)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

Related Compounds

Norcotinine
CID 413
N,N'-bis[(pyridin-2-yl)methyl]ethanediamide
CID 3113972
Demethylcotinine
CID 92223
(2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one
CID 11346439
N-(propan-2-yl)-N'-(pyridin-2-ylmethyl)ethanediamide
CID 2053858
N-cyclohexyl-1-methylpyrrole-2-carboxamide
CID 24978957
2-(Pyrrolidin-2-yl)pyridine
CID 2771659
1,3-Dihydro-2H-pyrrolo[3,2-b]pyridin-2-one
CID 316367
N-cyclohexylpyridine-2-carboxamide
CID 10608271
N-methylpyridine-2-carboxamide
CID 12272691
N-(pyridin-2-ylmethyl)acetamide
CID 5084090
N-[3-(dimethylamino)propyl]-N-(pyridin-2-ylmethyl)acetamide
CID 1921168

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-3-(pyridin-2-ylmethylamino)pyrrolidin-2-one?
The IUPAC name of (3S)-1-methyl-3-(pyridin-2-ylmethylamino)pyrrolidin-2-one (CID 95365710) is (3S)-1-methyl-3-(pyridin-2-ylmethylamino)pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-methyl-3-(pyridin-2-ylmethylamino)pyrrolidin-2-one?
The canonical SMILES for (3S)-1-methyl-3-(pyridin-2-ylmethylamino)pyrrolidin-2-one is CN1CC[C@H](NCc2ccccn2)C1=O.
What is the InChIKey of (3S)-1-methyl-3-(pyridin-2-ylmethylamino)pyrrolidin-2-one?
The InChIKey is AGXKAYCLQCLQML-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15N3O/c1-14-7-5-10(11(14)15)13-8-9-4-2-3-6-12-9/h2-4,6,10,13H,5,7-8H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-1-methyl-3-(pyridin-2-ylmethylamino)pyrrolidin-2-one?
(3S)-1-methyl-3-(pyridin-2-ylmethylamino)pyrrolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-3-(pyridin-2-ylmethylamino)pyrrolidin-2-one is sourced from PubChem (CID 95365710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).