[(3S)-3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone

C15H22N2O3 — CID 164642001

IUPAC[(3S)-3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCOCCOC[C@H]1CCN(C(=O)c2cccc(C)n2)C1
InChIInChI=1S/C15H22N2O3/c1-12-4-3-5-14(16-12)15(18)17-7-6-13(10-17)11-20-9-8-19-2/h3-5,13H,6-11H2,1-2H3/t13-/m0/s1
InChIKeyIWXOHOHWMGDXKG-ZDUSSCGKSA-N
MW278.35 g/mol
LogP1.52
Rot. Bonds6

About [(3S)-3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone

[(3S)-3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 164642001) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is [(3S)-3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S)-3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID164642001
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name[(3S)-3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCOCCOC[C@H]1CCN(C(=O)c2cccc(C)n2)C1
InChIInChI=1S/C15H22N2O3/c1-12-4-3-5-14(16-12)15(18)17-7-6-13(10-17)11-20-9-8-19-2/h3-5,13H,6-11H2,1-2H3/t13-/m0/s1
InChIKeyIWXOHOHWMGDXKG-ZDUSSCGKSA-N
XLogP1.52
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(3S)-3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone 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 [(3S)-3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [(3S)-3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone (CID 164642001) is [(3S)-3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [(3S)-3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [(3S)-3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone is COCCOC[C@H]1CCN(C(=O)c2cccc(C)n2)C1.
What is the InChIKey of [(3S)-3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is IWXOHOHWMGDXKG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12-4-3-5-14(16-12)15(18)17-7-6-13(10-17)11-20-9-8-19-2/h3-5,13H,6-11H2,1-2H3/t13-/m0/s1.
What are the key properties of [(3S)-3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
[(3S)-3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 278.35 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 164642001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).