2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile

C15H12N4O3 — CID 122249005

IUPAC2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC1CN(C(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C15H12N4O3/c16-6-10-2-1-5-17-14(10)22-12-8-19(9-12)15(21)11-3-4-13(20)18-7-11/h1-5,7,12H,8-9H2,(H,18,20)
InChIKeyPZTIOHXBZUCEDA-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.54
Rot. Bonds3

About 2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile

2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile (PubChem CID 122249005) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
PubChem CID122249005
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC1CN(C(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C15H12N4O3/c16-6-10-2-1-5-17-14(10)22-12-8-19(9-12)15(21)11-3-4-13(20)18-7-11/h1-5,7,12H,8-9H2,(H,18,20)
InChIKeyPZTIOHXBZUCEDA-UHFFFAOYSA-N
XLogP0.54
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-nitrobenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249124
2-[1-(4-tert-butylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249089
2-[1-(thiophene-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249236
2-[1-(3,4-diethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249102
2-[1-(furan-2-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249180
2-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249084
2-[1-(5-bromofuran-2-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249181
2-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249016
2-[1-(4-methyl-3-nitrobenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249126
ethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate
CID 122249189
2-[1-(3-phenyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249025
2-[1-(4-chlorobutanoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249080

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile (CID 122249005) is 2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile is N#Cc1cccnc1OC1CN(C(=O)c2ccc(=O)[nH]c2)C1.
What is the InChIKey of 2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The InChIKey is PZTIOHXBZUCEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c16-6-10-2-1-5-17-14(10)22-12-8-19(9-12)15(21)11-3-4-13(20)18-7-11/h1-5,7,12H,8-9H2,(H,18,20).
What are the key properties of 2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile has a molecular weight of 296.29 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 122249005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).