3-[[4-(2-methoxy-3-pyridinyl)phenyl]methoxy]azetidine-1-carbonitrile

C17H17N3O2 — CID 118524813

IUPAC3-[[4-(2-methoxy-3-pyridinyl)phenyl]methoxy]azetidine-1-carbonitrile
SMILESCOc1ncccc1-c1ccc(COC2CN(C#N)C2)cc1
InChIInChI=1S/C17H17N3O2/c1-21-17-16(3-2-8-19-17)14-6-4-13(5-7-14)11-22-15-9-20(10-15)12-18/h2-8,15H,9-11H2,1H3
InChIKeySPXOXHNZZYXODQ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.44
Rot. Bonds5

About 3-[[4-(2-methoxy-3-pyridinyl)phenyl]methoxy]azetidine-1-carbonitrile

3-[[4-(2-methoxy-3-pyridinyl)phenyl]methoxy]azetidine-1-carbonitrile (PubChem CID 118524813) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-[[4-(2-methoxy-3-pyridinyl)phenyl]methoxy]azetidine-1-carbonitrile.

Molecular Properties

Compound Name3-[[4-(2-methoxy-3-pyridinyl)phenyl]methoxy]azetidine-1-carbonitrile
PubChem CID118524813
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-[[4-(2-methoxy-3-pyridinyl)phenyl]methoxy]azetidine-1-carbonitrile
SMILESCOc1ncccc1-c1ccc(COC2CN(C#N)C2)cc1
InChIInChI=1S/C17H17N3O2/c1-21-17-16(3-2-8-19-17)14-6-4-13(5-7-14)11-22-15-9-20(10-15)12-18/h2-8,15H,9-11H2,1H3
InChIKeySPXOXHNZZYXODQ-UHFFFAOYSA-N
XLogP2.44
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-methoxy-3-pyridinyl)phenyl]methoxy]azetidine-1-carbonitrile?
The IUPAC name of 3-[[4-(2-methoxy-3-pyridinyl)phenyl]methoxy]azetidine-1-carbonitrile (CID 118524813) is 3-[[4-(2-methoxy-3-pyridinyl)phenyl]methoxy]azetidine-1-carbonitrile.
What is the SMILES notation for 3-[[4-(2-methoxy-3-pyridinyl)phenyl]methoxy]azetidine-1-carbonitrile?
The canonical SMILES for 3-[[4-(2-methoxy-3-pyridinyl)phenyl]methoxy]azetidine-1-carbonitrile is COc1ncccc1-c1ccc(COC2CN(C#N)C2)cc1.
What is the InChIKey of 3-[[4-(2-methoxy-3-pyridinyl)phenyl]methoxy]azetidine-1-carbonitrile?
The InChIKey is SPXOXHNZZYXODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-21-17-16(3-2-8-19-17)14-6-4-13(5-7-14)11-22-15-9-20(10-15)12-18/h2-8,15H,9-11H2,1H3.
What are the key properties of 3-[[4-(2-methoxy-3-pyridinyl)phenyl]methoxy]azetidine-1-carbonitrile?
3-[[4-(2-methoxy-3-pyridinyl)phenyl]methoxy]azetidine-1-carbonitrile has a molecular weight of 295.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-methoxy-3-pyridinyl)phenyl]methoxy]azetidine-1-carbonitrile is sourced from PubChem (CID 118524813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).