2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-3-ylethanone

C14H20N2O2 — CID 116568377

IUPAC2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-3-ylethanone
SMILESCOc1c(C)cnc(CC(=O)C2CCNC2)c1C
InChIInChI=1S/C14H20N2O2/c1-9-7-16-12(10(2)14(9)18-3)6-13(17)11-4-5-15-8-11/h7,11,15H,4-6,8H2,1-3H3
InChIKeyCMIKSGZBLXXVTJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.43
Rot. Bonds4

About 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-3-ylethanone

2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-3-ylethanone (PubChem CID 116568377) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-3-ylethanone.

Molecular Properties

Compound Name2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-3-ylethanone
PubChem CID116568377
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-3-ylethanone
SMILESCOc1c(C)cnc(CC(=O)C2CCNC2)c1C
InChIInChI=1S/C14H20N2O2/c1-9-7-16-12(10(2)14(9)18-3)6-13(17)11-4-5-15-8-11/h7,11,15H,4-6,8H2,1-3H3
InChIKeyCMIKSGZBLXXVTJ-UHFFFAOYSA-N
XLogP1.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-3-ylethanone with MolForge

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Related Compounds

1-(3-bicyclo[3.1.0]hexanyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114968264
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-2-ylethanone
CID 116547474
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropan-2-one
CID 116564272
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116576066
2-(azetidin-3-ylmethyl)-4-methoxy-3,5-dimethylpyridine
CID 79452625
1-cyclopropyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-1-one
CID 64503130
4-methoxy-3,5-dimethyl-2-(piperidin-4-yloxymethyl)pyridine
CID 43346269
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 62620221
1-(4-aminooxolan-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116587571
1-(4-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 62620937
N-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine-3-carboxamide
CID 115159376
methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 62025945

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-3-ylethanone?
The IUPAC name of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-3-ylethanone (CID 116568377) is 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-3-ylethanone.
What is the SMILES notation for 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-3-ylethanone?
The canonical SMILES for 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-3-ylethanone is COc1c(C)cnc(CC(=O)C2CCNC2)c1C.
What is the InChIKey of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-3-ylethanone?
The InChIKey is CMIKSGZBLXXVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-7-16-12(10(2)14(9)18-3)6-13(17)11-4-5-15-8-11/h7,11,15H,4-6,8H2,1-3H3.
What are the key properties of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-3-ylethanone?
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-3-ylethanone has a molecular weight of 248.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-3-ylethanone is sourced from PubChem (CID 116568377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).