1-(4-aminooxolan-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone

C14H20N2O3 — CID 116587571

IUPAC1-(4-aminooxolan-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
SMILESCOc1c(C)cnc(CC(=O)C2COCC2N)c1C
InChIInChI=1S/C14H20N2O3/c1-8-5-16-12(9(2)14(8)18-3)4-13(17)10-6-19-7-11(10)15/h5,10-11H,4,6-7,15H2,1-3H3
InChIKeyYZLRRXHUQMVTQR-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.79
Rot. Bonds4

About 1-(4-aminooxolan-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone

1-(4-aminooxolan-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone (PubChem CID 116587571) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(4-aminooxolan-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(4-aminooxolan-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
PubChem CID116587571
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-(4-aminooxolan-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
SMILESCOc1c(C)cnc(CC(=O)C2COCC2N)c1C
InChIInChI=1S/C14H20N2O3/c1-8-5-16-12(9(2)14(8)18-3)4-13(17)10-6-19-7-11(10)15/h5,10-11H,4,6-7,15H2,1-3H3
InChIKeyYZLRRXHUQMVTQR-UHFFFAOYSA-N
XLogP0.79
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-aminooxolan-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone 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
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116576066
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 83261268
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-3-ylethanone
CID 116568377
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-2-ylethanone
CID 116547474
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 62620221
1-cyclopropyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-1-one
CID 64503130
4-methoxy-3,5-dimethyl-2-[2-(oxiran-2-yl)ethyl]pyridine
CID 115410537
3-amino-4-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 116594134
1-(4-aminophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116548821
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminooxolan-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(4-aminooxolan-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone (CID 116587571) is 1-(4-aminooxolan-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(4-aminooxolan-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(4-aminooxolan-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone is COc1c(C)cnc(CC(=O)C2COCC2N)c1C.
What is the InChIKey of 1-(4-aminooxolan-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
The InChIKey is YZLRRXHUQMVTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-8-5-16-12(9(2)14(8)18-3)4-13(17)10-6-19-7-11(10)15/h5,10-11H,4,6-7,15H2,1-3H3.
What are the key properties of 1-(4-aminooxolan-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
1-(4-aminooxolan-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone has a molecular weight of 264.32 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminooxolan-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone is sourced from PubChem (CID 116587571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).