2-[1-(2-phenylbutanoyl)azetidin-3-yl]oxypyridine-3-carbonitrile

C19H19N3O2 — CID 122249169

IUPAC2-[1-(2-phenylbutanoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESCCC(C(=O)N1CC(Oc2ncccc2C#N)C1)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-2-17(14-7-4-3-5-8-14)19(23)22-12-16(13-22)24-18-15(11-20)9-6-10-21-18/h3-10,16-17H,2,12-13H2,1H3
InChIKeyQURHXOLHCFHABV-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.74
Rot. Bonds5

About 2-[1-(2-phenylbutanoyl)azetidin-3-yl]oxypyridine-3-carbonitrile

2-[1-(2-phenylbutanoyl)azetidin-3-yl]oxypyridine-3-carbonitrile (PubChem CID 122249169) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[1-(2-phenylbutanoyl)azetidin-3-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-(2-phenylbutanoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
PubChem CID122249169
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-[1-(2-phenylbutanoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESCCC(C(=O)N1CC(Oc2ncccc2C#N)C1)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-2-17(14-7-4-3-5-8-14)19(23)22-12-16(13-22)24-18-15(11-20)9-6-10-21-18/h3-10,16-17H,2,12-13H2,1H3
InChIKeyQURHXOLHCFHABV-UHFFFAOYSA-N
XLogP2.74
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate
CID 122249189
3-[(3R)-1-[(2R)-2-phenylbutanoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100754753
ethyl 2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoacetate
CID 122249076
2-[[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 94813354
2-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249084
2-[1-(4-chlorobutanoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249080
2-[1-[2-(4-propan-2-ylphenoxy)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249155
2-[1-(3,4-diethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249102
2-[1-(4-tert-butylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249089
N-[2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122249265
3-[(3-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide
CID 122249279
2-[1-(4-nitrobenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249124

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenylbutanoyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 2-[1-(2-phenylbutanoyl)azetidin-3-yl]oxypyridine-3-carbonitrile (CID 122249169) is 2-[1-(2-phenylbutanoyl)azetidin-3-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-(2-phenylbutanoyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 2-[1-(2-phenylbutanoyl)azetidin-3-yl]oxypyridine-3-carbonitrile is CCC(C(=O)N1CC(Oc2ncccc2C#N)C1)c1ccccc1.
What is the InChIKey of 2-[1-(2-phenylbutanoyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The InChIKey is QURHXOLHCFHABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-17(14-7-4-3-5-8-14)19(23)22-12-16(13-22)24-18-15(11-20)9-6-10-21-18/h3-10,16-17H,2,12-13H2,1H3.
What are the key properties of 2-[1-(2-phenylbutanoyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
2-[1-(2-phenylbutanoyl)azetidin-3-yl]oxypyridine-3-carbonitrile has a molecular weight of 321.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenylbutanoyl)azetidin-3-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 122249169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).