3-[(4-pyridin-3-ylphenyl)methoxy]azetidine-1-carbonitrile

C16H15N3O — CID 118524772

IUPAC3-[(4-pyridin-3-ylphenyl)methoxy]azetidine-1-carbonitrile
SMILESN#CN1CC(OCc2ccc(-c3cccnc3)cc2)C1
InChIInChI=1S/C16H15N3O/c17-12-19-9-16(10-19)20-11-13-3-5-14(6-4-13)15-2-1-7-18-8-15/h1-8,16H,9-11H2
InChIKeyLANGHEOFSKFHAC-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.43
Rot. Bonds4

About 3-[(4-pyridin-3-ylphenyl)methoxy]azetidine-1-carbonitrile

3-[(4-pyridin-3-ylphenyl)methoxy]azetidine-1-carbonitrile (PubChem CID 118524772) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-[(4-pyridin-3-ylphenyl)methoxy]azetidine-1-carbonitrile.

Molecular Properties

Compound Name3-[(4-pyridin-3-ylphenyl)methoxy]azetidine-1-carbonitrile
PubChem CID118524772
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-[(4-pyridin-3-ylphenyl)methoxy]azetidine-1-carbonitrile
SMILESN#CN1CC(OCc2ccc(-c3cccnc3)cc2)C1
InChIInChI=1S/C16H15N3O/c17-12-19-9-16(10-19)20-11-13-3-5-14(6-4-13)15-2-1-7-18-8-15/h1-8,16H,9-11H2
InChIKeyLANGHEOFSKFHAC-UHFFFAOYSA-N
XLogP2.43
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Doxylamine
CID 3162
US9963444, Example 74
CID 118524813
N-Desmethyldoxylamine
CID 135338
3-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]-pyridine
CID 10548223
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-pyridin-3-yl-propyl)-piperazine
CID 10599695
1-(2-Benzhydryloxy-ethyl)-4-(3-pyridin-3-yl-propyl)-piperazine
CID 10669551
3-{3-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-yl]-propyl}-pyridine
CID 10740538
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-((E)-3-pyridin-3-yl-allyl)-piperazine
CID 10789674
1-(2-Benzhydryloxy-ethyl)-4-((E)-3-pyridin-3-yl-allyl)-piperazine
CID 10811697
3-[[4-(4-Methoxy-3-pyridinyl)phenyl]methoxy]azetidine-1-carbonitrile
CID 156016019
N,N-dimethyl-2-[(1R)-1-phenyl-1-pyridin-2-ylethoxy]ethanamine
CID 6852255
(5-Pyridin-3-yloxolan-2-yl)methanamine
CID 11367332

Frequently Asked Questions

What is the IUPAC name of 3-[(4-pyridin-3-ylphenyl)methoxy]azetidine-1-carbonitrile?
The IUPAC name of 3-[(4-pyridin-3-ylphenyl)methoxy]azetidine-1-carbonitrile (CID 118524772) is 3-[(4-pyridin-3-ylphenyl)methoxy]azetidine-1-carbonitrile.
What is the SMILES notation for 3-[(4-pyridin-3-ylphenyl)methoxy]azetidine-1-carbonitrile?
The canonical SMILES for 3-[(4-pyridin-3-ylphenyl)methoxy]azetidine-1-carbonitrile is N#CN1CC(OCc2ccc(-c3cccnc3)cc2)C1.
What is the InChIKey of 3-[(4-pyridin-3-ylphenyl)methoxy]azetidine-1-carbonitrile?
The InChIKey is LANGHEOFSKFHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-12-19-9-16(10-19)20-11-13-3-5-14(6-4-13)15-2-1-7-18-8-15/h1-8,16H,9-11H2.
What are the key properties of 3-[(4-pyridin-3-ylphenyl)methoxy]azetidine-1-carbonitrile?
3-[(4-pyridin-3-ylphenyl)methoxy]azetidine-1-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-pyridin-3-ylphenyl)methoxy]azetidine-1-carbonitrile is sourced from PubChem (CID 118524772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).