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

C23H17N3O3 — CID 122248635

IUPAC6-[1-(2-benzoylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CN(C(=O)c3ccccc3C(=O)c3ccccc3)C2)nc1
InChIInChI=1S/C23H17N3O3/c24-12-16-10-11-21(25-13-16)29-18-14-26(15-18)23(28)20-9-5-4-8-19(20)22(27)17-6-2-1-3-7-17/h1-11,13,18H,14-15H2
InChIKeyVWJGPNUDUGRGQG-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.09
Rot. Bonds5

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

6-[1-(2-benzoylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile (PubChem CID 122248635) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 6-[1-(2-benzoylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(2-benzoylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
PubChem CID122248635
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC Name6-[1-(2-benzoylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CN(C(=O)c3ccccc3C(=O)c3ccccc3)C2)nc1
InChIInChI=1S/C23H17N3O3/c24-12-16-10-11-21(25-13-16)29-18-14-26(15-18)23(28)20-9-5-4-8-19(20)22(27)17-6-2-1-3-7-17/h1-11,13,18H,14-15H2
InChIKeyVWJGPNUDUGRGQG-UHFFFAOYSA-N
XLogP3.09
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-(2-phenoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248644
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-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248703
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
3-[(5-cyano-2-pyridinyl)oxy]-N-cyclohexylazetidine-1-carboxamide
CID 122248876
6-[1-(2-ethoxyacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248677
6-[1-(2-cyclohexylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248669

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-benzoylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 6-[1-(2-benzoylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile (CID 122248635) is 6-[1-(2-benzoylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(2-benzoylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(2-benzoylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile is N#Cc1ccc(OC2CN(C(=O)c3ccccc3C(=O)c3ccccc3)C2)nc1.
What is the InChIKey of 6-[1-(2-benzoylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The InChIKey is VWJGPNUDUGRGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c24-12-16-10-11-21(25-13-16)29-18-14-26(15-18)23(28)20-9-5-4-8-19(20)22(27)17-6-2-1-3-7-17/h1-11,13,18H,14-15H2.
What are the key properties of 6-[1-(2-benzoylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
6-[1-(2-benzoylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile has a molecular weight of 383.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-benzoylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 122248635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).