3-[(5-cyano-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide

C17H16N4O2 — CID 122248920

IUPAC3-[(5-cyano-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CC(Oc2ccc(C#N)cn2)C1
InChIInChI=1S/C17H16N4O2/c1-12-4-2-3-5-15(12)20-17(22)21-10-14(11-21)23-16-7-6-13(8-18)9-19-16/h2-7,9,14H,10-11H2,1H3,(H,20,22)
InChIKeyFQPBAVFAANHVBC-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.56
Rot. Bonds3

About 3-[(5-cyano-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide

3-[(5-cyano-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide (PubChem CID 122248920) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-[(5-cyano-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(5-cyano-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide
PubChem CID122248920
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-[(5-cyano-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CC(Oc2ccc(C#N)cn2)C1
InChIInChI=1S/C17H16N4O2/c1-12-4-2-3-5-15(12)20-17(22)21-10-14(11-21)23-16-7-6-13(8-18)9-19-16/h2-7,9,14H,10-11H2,1H3,(H,20,22)
InChIKeyFQPBAVFAANHVBC-UHFFFAOYSA-N
XLogP2.56
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chloro-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide
CID 122248522
3-[(5-cyano-2-pyridinyl)oxy]-N-(3,4-dimethylphenyl)azetidine-1-carboxamide
CID 122248895
3-[(5-cyano-2-pyridinyl)oxy]-N-(4-ethoxyphenyl)azetidine-1-carboxamide
CID 122248888
N-benzyl-3-[(5-cyano-2-pyridinyl)oxy]azetidine-1-carboxamide
CID 122248897
3-[(5-cyano-2-pyridinyl)oxy]-N-cyclohexylazetidine-1-carboxamide
CID 122248876
ethyl 2-[3-[(5-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoacetate
CID 122248678
6-[1-(cyclopentanecarbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248667
6-[1-(2-ethoxyacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248677
6-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248816
6-[1-(2-benzoylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248635
6-[1-(2-benzylsulfanylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248760
6-[1-(2-phenoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248644

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyano-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-[(5-cyano-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide (CID 122248920) is 3-[(5-cyano-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[(5-cyano-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-[(5-cyano-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide is Cc1ccccc1NC(=O)N1CC(Oc2ccc(C#N)cn2)C1.
What is the InChIKey of 3-[(5-cyano-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide?
The InChIKey is FQPBAVFAANHVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-4-2-3-5-15(12)20-17(22)21-10-14(11-21)23-16-7-6-13(8-18)9-19-16/h2-7,9,14H,10-11H2,1H3,(H,20,22).
What are the key properties of 3-[(5-cyano-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide?
3-[(5-cyano-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyano-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 122248920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).