1-[(6-methyl-2-pyridinyl)methyl]-3-(propylamino)pyrrolidin-2-one

C14H21N3O — CID 62308222

IUPAC1-[(6-methyl-2-pyridinyl)methyl]-3-(propylamino)pyrrolidin-2-one
SMILESCCCNC1CCN(Cc2cccc(C)n2)C1=O
InChIInChI=1S/C14H21N3O/c1-3-8-15-13-7-9-17(14(13)18)10-12-6-4-5-11(2)16-12/h4-6,13,15H,3,7-10H2,1-2H3
InChIKeyUWULGHPDSGBUSZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.49
Rot. Bonds5

About 1-[(6-methyl-2-pyridinyl)methyl]-3-(propylamino)pyrrolidin-2-one

1-[(6-methyl-2-pyridinyl)methyl]-3-(propylamino)pyrrolidin-2-one (PubChem CID 62308222) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[(6-methyl-2-pyridinyl)methyl]-3-(propylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(6-methyl-2-pyridinyl)methyl]-3-(propylamino)pyrrolidin-2-one
PubChem CID62308222
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[(6-methyl-2-pyridinyl)methyl]-3-(propylamino)pyrrolidin-2-one
SMILESCCCNC1CCN(Cc2cccc(C)n2)C1=O
InChIInChI=1S/C14H21N3O/c1-3-8-15-13-7-9-17(14(13)18)10-12-6-4-5-11(2)16-12/h4-6,13,15H,3,7-10H2,1-2H3
InChIKeyUWULGHPDSGBUSZ-UHFFFAOYSA-N
XLogP1.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(6-methyl-2-pyridinyl)methyl]-3-(propylamino)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

CID 2053858
CID 2053858
CID 3618799
CID 3618799
CID 44418232
CID 44418232
CID 142429285
CID 142429285
CID 49857
CID 49857
CID 40076165
CID 40076165
CID 44418262
CID 44418262
CID 76336484
CID 76336484
CID 3114026
CID 3114026
CID 3347998
CID 3347998
CID 2890708
CID 2890708
CID 1950132
CID 1950132

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]-3-(propylamino)pyrrolidin-2-one?
The IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]-3-(propylamino)pyrrolidin-2-one (CID 62308222) is 1-[(6-methyl-2-pyridinyl)methyl]-3-(propylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-[(6-methyl-2-pyridinyl)methyl]-3-(propylamino)pyrrolidin-2-one?
The canonical SMILES for 1-[(6-methyl-2-pyridinyl)methyl]-3-(propylamino)pyrrolidin-2-one is CCCNC1CCN(Cc2cccc(C)n2)C1=O.
What is the InChIKey of 1-[(6-methyl-2-pyridinyl)methyl]-3-(propylamino)pyrrolidin-2-one?
The InChIKey is UWULGHPDSGBUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-8-15-13-7-9-17(14(13)18)10-12-6-4-5-11(2)16-12/h4-6,13,15H,3,7-10H2,1-2H3.
What are the key properties of 1-[(6-methyl-2-pyridinyl)methyl]-3-(propylamino)pyrrolidin-2-one?
1-[(6-methyl-2-pyridinyl)methyl]-3-(propylamino)pyrrolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-pyridinyl)methyl]-3-(propylamino)pyrrolidin-2-one is sourced from PubChem (CID 62308222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).