3-[(3-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide

C17H16N4O2 — CID 122249279

IUPAC3-[(3-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC(Oc3ncccc3C#N)C2)cc1
InChIInChI=1S/C17H16N4O2/c1-12-4-6-14(7-5-12)20-17(22)21-10-15(11-21)23-16-13(9-18)3-2-8-19-16/h2-8,15H,10-11H2,1H3,(H,20,22)
InChIKeyFFUSLOKDAYBPKR-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.56
Rot. Bonds3

About 3-[(3-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide

3-[(3-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide (PubChem CID 122249279) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-[(3-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(3-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide
PubChem CID122249279
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-[(3-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC(Oc3ncccc3C#N)C2)cc1
InChIInChI=1S/C17H16N4O2/c1-12-4-6-14(7-5-12)20-17(22)21-10-15(11-21)23-16-13(9-18)3-2-8-19-16/h2-8,15H,10-11H2,1H3,(H,20,22)
InChIKeyFFUSLOKDAYBPKR-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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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-[(3-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide (CID 122249279) is 3-[(3-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[(3-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-[(3-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide is Cc1ccc(NC(=O)N2CC(Oc3ncccc3C#N)C2)cc1.
What is the InChIKey of 3-[(3-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide?
The InChIKey is FFUSLOKDAYBPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-4-6-14(7-5-12)20-17(22)21-10-15(11-21)23-16-13(9-18)3-2-8-19-16/h2-8,15H,10-11H2,1H3,(H,20,22).
What are the key properties of 3-[(3-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide?
3-[(3-cyano-2-pyridinyl)oxy]-N-(4-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-[(3-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 122249279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).