2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one

C14H20N2O3 — CID 79169274

IUPAC2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc(OC(C)C(=O)N2CCCC2)c(CO)n1
InChIInChI=1S/C14H20N2O3/c1-10-5-6-13(12(9-17)15-10)19-11(2)14(18)16-7-3-4-8-16/h5-6,11,17H,3-4,7-9H2,1-2H3
InChIKeyQHXMWIJHRZUEAE-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.27
Rot. Bonds4

About 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one

2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 79169274) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID79169274
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc(OC(C)C(=O)N2CCCC2)c(CO)n1
InChIInChI=1S/C14H20N2O3/c1-10-5-6-13(12(9-17)15-10)19-11(2)14(18)16-7-3-4-8-16/h5-6,11,17H,3-4,7-9H2,1-2H3
InChIKeyQHXMWIJHRZUEAE-UHFFFAOYSA-N
XLogP1.27
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-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

1-(azepan-1-yl)-2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propan-1-one
CID 79163826
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoic acid
CID 79159018
ethyl 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoate
CID 79169271
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-propylpropanamide
CID 79157055
2-[2-(aminomethyl)-4-methylphenoxy]-1-piperidin-1-ylpropan-1-one
CID 63322604
2-[2-(aminomethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43268134
(2S)-1-(azepan-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 9173596
2-(2-amino-4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 61313803
2-(2,3-dimethylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 42904169
(2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one
CID 28825799
2-(5-amino-2-bromophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 103009013
2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylpropan-1-one
CID 61312232

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one (CID 79169274) is 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one is Cc1ccc(OC(C)C(=O)N2CCCC2)c(CO)n1.
What is the InChIKey of 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is QHXMWIJHRZUEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-5-6-13(12(9-17)15-10)19-11(2)14(18)16-7-3-4-8-16/h5-6,11,17H,3-4,7-9H2,1-2H3.
What are the key properties of 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one?
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 264.32 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 79169274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).