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

C14H20N2O2 — CID 116547474

IUPAC2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-2-ylethanone
SMILESCOc1c(C)cnc(CC(=O)C2CCCN2)c1C
InChIInChI=1S/C14H20N2O2/c1-9-8-16-12(10(2)14(9)18-3)7-13(17)11-5-4-6-15-11/h8,11,15H,4-7H2,1-3H3
InChIKeyNJPKVDXYYBZWNK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.57
Rot. Bonds4

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

2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-2-ylethanone (PubChem CID 116547474) 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-2-ylethanone.

Molecular Properties

Compound Name2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-2-ylethanone
PubChem CID116547474
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-2-ylethanone
SMILESCOc1c(C)cnc(CC(=O)C2CCCN2)c1C
InChIInChI=1S/C14H20N2O2/c1-9-8-16-12(10(2)14(9)18-3)7-13(17)11-5-4-6-15-11/h8,11,15H,4-7H2,1-3H3
InChIKeyNJPKVDXYYBZWNK-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-3-ylethanone
CID 116568377
1-(3-bicyclo[3.1.0]hexanyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114968264
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
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106632503
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
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentan-1-ol
CID 55125071
1-chloro-1,1-difluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-one
CID 112574809
1-cyclopropyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-1-one
CID 64503130
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-ol
CID 64910537
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-one
CID 64906550

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-2-ylethanone?
The IUPAC name of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-2-ylethanone (CID 116547474) is 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-2-ylethanone.
What is the SMILES notation for 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-2-ylethanone?
The canonical SMILES for 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-2-ylethanone is COc1c(C)cnc(CC(=O)C2CCCN2)c1C.
What is the InChIKey of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-2-ylethanone?
The InChIKey is NJPKVDXYYBZWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-8-16-12(10(2)14(9)18-3)7-13(17)11-5-4-6-15-11/h8,11,15H,4-7H2,1-3H3.
What are the key properties of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-2-ylethanone?
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-2-ylethanone has a molecular weight of 248.33 g/mol, XLogP of 1.57, 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-2-ylethanone is sourced from PubChem (CID 116547474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).