6-[1-(2-phenoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile

C22H17N3O3 — CID 122248644

IUPAC6-[1-(2-phenoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CN(C(=O)c3ccccc3Oc3ccccc3)C2)nc1
InChIInChI=1S/C22H17N3O3/c23-12-16-10-11-21(24-13-16)28-18-14-25(15-18)22(26)19-8-4-5-9-20(19)27-17-6-2-1-3-7-17/h1-11,13,18H,14-15H2
InChIKeyFVAIDSDPUACQBQ-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.65
Rot. Bonds5

About 6-[1-(2-phenoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile

6-[1-(2-phenoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile (PubChem CID 122248644) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 6-[1-(2-phenoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(2-phenoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
PubChem CID122248644
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name6-[1-(2-phenoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CN(C(=O)c3ccccc3Oc3ccccc3)C2)nc1
InChIInChI=1S/C22H17N3O3/c23-12-16-10-11-21(24-13-16)28-18-14-25(15-18)22(26)19-8-4-5-9-20(19)27-17-6-2-1-3-7-17/h1-11,13,18H,14-15H2
InChIKeyFVAIDSDPUACQBQ-UHFFFAOYSA-N
XLogP3.65
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-(2-benzoylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248635
6-[1-(1H-indole-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248812
6-[1-(2-benzylsulfanylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248760
N-benzyl-3-[(5-cyano-2-pyridinyl)oxy]azetidine-1-carboxamide
CID 122248897
6-[1-(cyclopentanecarbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248667
6-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248816
3-[(5-cyano-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide
CID 122248920
ethyl 2-[3-[(5-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoacetate
CID 122248678
6-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248703
3-[(5-cyano-2-pyridinyl)oxy]-N-cyclohexylazetidine-1-carboxamide
CID 122248876
6-[1-(2-ethoxyacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248677
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylphenyl)methanone
CID 122248288

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-phenoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 6-[1-(2-phenoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile (CID 122248644) is 6-[1-(2-phenoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(2-phenoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(2-phenoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile is N#Cc1ccc(OC2CN(C(=O)c3ccccc3Oc3ccccc3)C2)nc1.
What is the InChIKey of 6-[1-(2-phenoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The InChIKey is FVAIDSDPUACQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c23-12-16-10-11-21(24-13-16)28-18-14-25(15-18)22(26)19-8-4-5-9-20(19)27-17-6-2-1-3-7-17/h1-11,13,18H,14-15H2.
What are the key properties of 6-[1-(2-phenoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
6-[1-(2-phenoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile has a molecular weight of 371.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-phenoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 122248644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).