3-[(5-cyano-2-pyridinyl)oxy]-N-(3,4-dimethylphenyl)azetidine-1-carboxamide

C18H18N4O2 — CID 122248895

IUPAC3-[(5-cyano-2-pyridinyl)oxy]-N-(3,4-dimethylphenyl)azetidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC(Oc3ccc(C#N)cn3)C2)cc1C
InChIInChI=1S/C18H18N4O2/c1-12-3-5-15(7-13(12)2)21-18(23)22-10-16(11-22)24-17-6-4-14(8-19)9-20-17/h3-7,9,16H,10-11H2,1-2H3,(H,21,23)
InChIKeyCYNQRVBXCHNHSO-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.87
Rot. Bonds3

About 3-[(5-cyano-2-pyridinyl)oxy]-N-(3,4-dimethylphenyl)azetidine-1-carboxamide

3-[(5-cyano-2-pyridinyl)oxy]-N-(3,4-dimethylphenyl)azetidine-1-carboxamide (PubChem CID 122248895) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-[(5-cyano-2-pyridinyl)oxy]-N-(3,4-dimethylphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(5-cyano-2-pyridinyl)oxy]-N-(3,4-dimethylphenyl)azetidine-1-carboxamide
PubChem CID122248895
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-[(5-cyano-2-pyridinyl)oxy]-N-(3,4-dimethylphenyl)azetidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC(Oc3ccc(C#N)cn3)C2)cc1C
InChIInChI=1S/C18H18N4O2/c1-12-3-5-15(7-13(12)2)21-18(23)22-10-16(11-22)24-17-6-4-14(8-19)9-20-17/h3-7,9,16H,10-11H2,1-2H3,(H,21,23)
InChIKeyCYNQRVBXCHNHSO-UHFFFAOYSA-N
XLogP2.87
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-cyano-2-pyridinyl)oxy]-N-(4-ethoxyphenyl)azetidine-1-carboxamide
CID 122248888
3-[(5-cyano-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide
CID 122248920
3-[(3-cyano-2-pyridinyl)oxy]-N-(3,4-dimethylphenyl)azetidine-1-carboxamide
CID 122249293
3-[(5-cyano-2-pyridinyl)oxy]-N-cyclohexylazetidine-1-carboxamide
CID 122248876
3-[(4-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide
CID 122252547
ethyl 2-[3-[(5-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoacetate
CID 122248678
4-[(5-cyano-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide
CID 71799121
N-benzyl-3-[(5-cyano-2-pyridinyl)oxy]azetidine-1-carboxamide
CID 122248897
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-cyclohexylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248669
6-[1-(2-cyclopentylsulfanylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248602

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyano-2-pyridinyl)oxy]-N-(3,4-dimethylphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-[(5-cyano-2-pyridinyl)oxy]-N-(3,4-dimethylphenyl)azetidine-1-carboxamide (CID 122248895) is 3-[(5-cyano-2-pyridinyl)oxy]-N-(3,4-dimethylphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[(5-cyano-2-pyridinyl)oxy]-N-(3,4-dimethylphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-[(5-cyano-2-pyridinyl)oxy]-N-(3,4-dimethylphenyl)azetidine-1-carboxamide is Cc1ccc(NC(=O)N2CC(Oc3ccc(C#N)cn3)C2)cc1C.
What is the InChIKey of 3-[(5-cyano-2-pyridinyl)oxy]-N-(3,4-dimethylphenyl)azetidine-1-carboxamide?
The InChIKey is CYNQRVBXCHNHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-3-5-15(7-13(12)2)21-18(23)22-10-16(11-22)24-17-6-4-14(8-19)9-20-17/h3-7,9,16H,10-11H2,1-2H3,(H,21,23).
What are the key properties of 3-[(5-cyano-2-pyridinyl)oxy]-N-(3,4-dimethylphenyl)azetidine-1-carboxamide?
3-[(5-cyano-2-pyridinyl)oxy]-N-(3,4-dimethylphenyl)azetidine-1-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.87, 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-(3,4-dimethylphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 122248895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).