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

C17H15N3O2 — CID 122249084

IUPAC2-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESCc1ccccc1C(=O)N1CC(Oc2ncccc2C#N)C1
InChIInChI=1S/C17H15N3O2/c1-12-5-2-3-7-15(12)17(21)20-10-14(11-20)22-16-13(9-18)6-4-8-19-16/h2-8,14H,10-11H2,1H3
InChIKeyGKDGMDPRDAGDLK-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.17
Rot. Bonds3

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

2-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile (PubChem CID 122249084) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
PubChem CID122249084
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESCc1ccccc1C(=O)N1CC(Oc2ncccc2C#N)C1
InChIInChI=1S/C17H15N3O2/c1-12-5-2-3-7-15(12)17(21)20-10-14(11-20)22-16-13(9-18)6-4-8-19-16/h2-8,14H,10-11H2,1H3
InChIKeyGKDGMDPRDAGDLK-UHFFFAOYSA-N
XLogP2.17
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,5-dimethylfuran-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249209
ethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate
CID 122249189
2-[1-(4-tert-butylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249089
2-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249097
2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249271
ethyl 2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoacetate
CID 122249076
2-[1-(4-methyl-3-nitrobenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249126
2-[1-(furan-2-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249180
2-[1-(4-nitrobenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249124
2-[1-(thiophene-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249236
N-[4-[(3-cyano-2-pyridinyl)oxy]cyclohexyl]-2-methylbenzamide
CID 136534296
2-[1-(5-bromofuran-2-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249181

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 2-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile (CID 122249084) is 2-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 2-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile is Cc1ccccc1C(=O)N1CC(Oc2ncccc2C#N)C1.
What is the InChIKey of 2-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The InChIKey is GKDGMDPRDAGDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-5-2-3-7-15(12)17(21)20-10-14(11-20)22-16-13(9-18)6-4-8-19-16/h2-8,14H,10-11H2,1H3.
What are the key properties of 2-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
2-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile has a molecular weight of 293.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 122249084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).