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

C17H16N4O2 — CID 122252547

IUPAC3-[(4-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC(Oc3cc(C#N)ccn3)C2)cc1
InChIInChI=1S/C17H16N4O2/c1-12-2-4-14(5-3-12)20-17(22)21-10-15(11-21)23-16-8-13(9-18)6-7-19-16/h2-8,15H,10-11H2,1H3,(H,20,22)
InChIKeyHGZGFLHYLDFVGT-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.56
Rot. Bonds3

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

3-[(4-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide (PubChem CID 122252547) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-[(4-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(4-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide
PubChem CID122252547
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-[(4-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC(Oc3cc(C#N)ccn3)C2)cc1
InChIInChI=1S/C17H16N4O2/c1-12-2-4-14(5-3-12)20-17(22)21-10-15(11-21)23-16-8-13(9-18)6-7-19-16/h2-8,15H,10-11H2,1H3,(H,20,22)
InChIKeyHGZGFLHYLDFVGT-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

2-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252256
3-[(4-cyano-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)azetidine-1-carboxamide
CID 122252567
3-[(3-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide
CID 122249279
methyl 4-[3-[(4-cyano-2-pyridinyl)oxy]azetidine-1-carbonyl]benzoate
CID 122252236
3-[(5-cyano-2-pyridinyl)oxy]-N-(3,4-dimethylphenyl)azetidine-1-carboxamide
CID 122248895
2-[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252429
3-[(4-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide
CID 122252572
3-[(5-cyano-2-pyridinyl)oxy]-N-(4-ethoxyphenyl)azetidine-1-carboxamide
CID 122248888
2-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252525
3-[(4-cyano-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide
CID 122252570
2-[1-(4-bromobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252310
2-[1-(morpholine-4-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252598

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-[(4-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide (CID 122252547) is 3-[(4-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[(4-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-[(4-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide is Cc1ccc(NC(=O)N2CC(Oc3cc(C#N)ccn3)C2)cc1.
What is the InChIKey of 3-[(4-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide?
The InChIKey is HGZGFLHYLDFVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-2-4-14(5-3-12)20-17(22)21-10-15(11-21)23-16-8-13(9-18)6-7-19-16/h2-8,15H,10-11H2,1H3,(H,20,22).
What are the key properties of 3-[(4-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide?
3-[(4-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-[(4-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 122252547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).