3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-one

C15H22N2O — CID 104735994

IUPAC3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-one
SMILESCCC(C)(C(=O)Cc1cccnc1)N1CCCC1
InChIInChI=1S/C15H22N2O/c1-3-15(2,17-9-4-5-10-17)14(18)11-13-7-6-8-16-12-13/h6-8,12H,3-5,9-11H2,1-2H3
InChIKeyGFLUMDVFFSKHKP-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.46
Rot. Bonds5

About 3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-one

3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-one (PubChem CID 104735994) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-one.

Molecular Properties

Compound Name3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-one
PubChem CID104735994
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-one
SMILESCCC(C)(C(=O)Cc1cccnc1)N1CCCC1
InChIInChI=1S/C15H22N2O/c1-3-15(2,17-9-4-5-10-17)14(18)11-13-7-6-8-16-12-13/h6-8,12H,3-5,9-11H2,1-2H3
InChIKeyGFLUMDVFFSKHKP-UHFFFAOYSA-N
XLogP2.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-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

3-amino-3-methyl-1-pyridin-3-ylhexan-2-one
CID 116557063
3-ethyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-ol
CID 104736143
3-methyl-3-(methylamino)-1-pyridin-3-ylbutan-2-one
CID 116566436
3-methyl-3-piperidin-1-yl-1-(1,3-thiazol-2-yl)pentan-2-one
CID 79824229
3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-amine
CID 104736500
2-methyl-3-pyridin-3-yl-2-pyrrolidin-1-ylpropanenitrile
CID 82078667
5,6-dimethyl-3-(2-methyl-3-oxo-4-pyridin-3-ylbutan-2-yl)-2H-1,3-oxazin-4-one
CID 159399523
5,6-dimethyl-3-(2-methyl-3-oxo-4-pyridin-3-ylbutan-2-yl)-2H-1,3-oxazin-4-one;ethane
CID 159399522
N-ethyl-3-methyl-3-piperidin-1-yl-1-pyridin-3-ylpentan-2-amine
CID 104736506
N-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine
CID 104736482
1-(4-tert-butylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621034
N-ethyl-N-iodo-2-pyridin-3-ylacetamide
CID 143532975

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-one?
The IUPAC name of 3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-one (CID 104735994) is 3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-one.
What is the SMILES notation for 3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-one?
The canonical SMILES for 3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-one is CCC(C)(C(=O)Cc1cccnc1)N1CCCC1.
What is the InChIKey of 3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-one?
The InChIKey is GFLUMDVFFSKHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-15(2,17-9-4-5-10-17)14(18)11-13-7-6-8-16-12-13/h6-8,12H,3-5,9-11H2,1-2H3.
What are the key properties of 3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-one?
3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-one is sourced from PubChem (CID 104735994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).