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

C17H16N4O2 — CID 122248897

IUPACN-benzyl-3-[(5-cyano-2-pyridinyl)oxy]azetidine-1-carboxamide
SMILESN#Cc1ccc(OC2CN(C(=O)NCc3ccccc3)C2)nc1
InChIInChI=1S/C17H16N4O2/c18-8-14-6-7-16(19-10-14)23-15-11-21(12-15)17(22)20-9-13-4-2-1-3-5-13/h1-7,10,15H,9,11-12H2,(H,20,22)
InChIKeyGBCQSMGXESYISO-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.93
Rot. Bonds4

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

N-benzyl-3-[(5-cyano-2-pyridinyl)oxy]azetidine-1-carboxamide (PubChem CID 122248897) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-benzyl-3-[(5-cyano-2-pyridinyl)oxy]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[(5-cyano-2-pyridinyl)oxy]azetidine-1-carboxamide
PubChem CID122248897
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-benzyl-3-[(5-cyano-2-pyridinyl)oxy]azetidine-1-carboxamide
SMILESN#Cc1ccc(OC2CN(C(=O)NCc3ccccc3)C2)nc1
InChIInChI=1S/C17H16N4O2/c18-8-14-6-7-16(19-10-14)23-15-11-21(12-15)17(22)20-9-13-4-2-1-3-5-13/h1-7,10,15H,9,11-12H2,(H,20,22)
InChIKeyGBCQSMGXESYISO-UHFFFAOYSA-N
XLogP1.93
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(2-benzylsulfanylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248760
3-[(5-cyano-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide
CID 122248920
3-[(5-cyano-2-pyridinyl)oxy]-N-cyclohexylazetidine-1-carboxamide
CID 122248876
3-[(5-cyano-2-pyridinyl)oxy]-N-(4-ethoxyphenyl)azetidine-1-carboxamide
CID 122248888
6-[1-(2-benzoylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248635
6-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248816
6-[1-(cyclopentanecarbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248667
ethyl 2-[3-[(5-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoacetate
CID 122248678
3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-fluorophenyl)methyl]azetidine-1-carboxamide
CID 122248512
3-[(5-cyano-2-pyridinyl)oxy]-N-(3,4-dimethylphenyl)azetidine-1-carboxamide
CID 122248895
6-[1-(1H-indole-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248812
6-[1-(2-phenoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248644

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(5-cyano-2-pyridinyl)oxy]azetidine-1-carboxamide?
The IUPAC name of N-benzyl-3-[(5-cyano-2-pyridinyl)oxy]azetidine-1-carboxamide (CID 122248897) is N-benzyl-3-[(5-cyano-2-pyridinyl)oxy]azetidine-1-carboxamide.
What is the SMILES notation for N-benzyl-3-[(5-cyano-2-pyridinyl)oxy]azetidine-1-carboxamide?
The canonical SMILES for N-benzyl-3-[(5-cyano-2-pyridinyl)oxy]azetidine-1-carboxamide is N#Cc1ccc(OC2CN(C(=O)NCc3ccccc3)C2)nc1.
What is the InChIKey of N-benzyl-3-[(5-cyano-2-pyridinyl)oxy]azetidine-1-carboxamide?
The InChIKey is GBCQSMGXESYISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c18-8-14-6-7-16(19-10-14)23-15-11-21(12-15)17(22)20-9-13-4-2-1-3-5-13/h1-7,10,15H,9,11-12H2,(H,20,22).
What are the key properties of N-benzyl-3-[(5-cyano-2-pyridinyl)oxy]azetidine-1-carboxamide?
N-benzyl-3-[(5-cyano-2-pyridinyl)oxy]azetidine-1-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(5-cyano-2-pyridinyl)oxy]azetidine-1-carboxamide is sourced from PubChem (CID 122248897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).