1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-one

C13H17NO3 — CID 112583867

IUPAC1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(OC2CCOCC2)cn1
InChIInChI=1S/C13H17NO3/c1-2-13(15)12-4-3-11(9-14-12)17-10-5-7-16-8-6-10/h3-4,9-10H,2,5-8H2,1H3
InChIKeyPDROXIXKLRSFDT-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.23
Rot. Bonds4

About 1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-one

1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-one (PubChem CID 112583867) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-one
PubChem CID112583867
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(OC2CCOCC2)cn1
InChIInChI=1S/C13H17NO3/c1-2-13(15)12-4-3-11(9-14-12)17-10-5-7-16-8-6-10/h3-4,9-10H,2,5-8H2,1H3
InChIKeyPDROXIXKLRSFDT-UHFFFAOYSA-N
XLogP2.23
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-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

5-(oxan-4-yloxy)pyridine-2-carboxylic acid
CID 66570796
1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanone
CID 83119185
1-[5-[3-(difluoromethoxy)cyclobutyl]oxy-2-pyridinyl]propan-1-one
CID 176878812
N'-hydroxy-5-(oxan-4-yloxy)pyridine-2-carboximidamide
CID 136990868
1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-amine
CID 112584869
1-[4-(oxolan-3-yloxy)phenyl]propan-1-one
CID 63557977
1-[4-(oxan-4-yloxy)phenyl]ethanone
CID 61288786
ethyl 2-[formyl-[5-(oxan-4-yloxy)-2-pyridinyl]amino]acetate
CID 174174957
5-cycloheptyloxypyridine-2-carboxylic acid
CID 115491140
1-[5-(4,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanone
CID 114341234
2-bromo-5-(oxan-4-yloxy)pyridine;6-bromopyridin-3-ol
CID 170549224
1-[5-(3,4-dichlorophenoxy)-2-pyridinyl]propan-1-one
CID 112583858

Frequently Asked Questions

What is the IUPAC name of 1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-one?
The IUPAC name of 1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-one (CID 112583867) is 1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-one?
The canonical SMILES for 1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-one is CCC(=O)c1ccc(OC2CCOCC2)cn1.
What is the InChIKey of 1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-one?
The InChIKey is PDROXIXKLRSFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-13(15)12-4-3-11(9-14-12)17-10-5-7-16-8-6-10/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of 1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-one?
1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-one has a molecular weight of 235.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-one is sourced from PubChem (CID 112583867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).