2-[1-[2-(4-phenylphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile

C23H19N3O3 — CID 122252488

IUPAC2-[1-[2-(4-phenylphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(OC2CN(C(=O)COc3ccc(-c4ccccc4)cc3)C2)c1
InChIInChI=1S/C23H19N3O3/c24-13-17-10-11-25-22(12-17)29-21-14-26(15-21)23(27)16-28-20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-12,21H,14-16H2
InChIKeyVUSAMZRVXFPIQT-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.29
Rot. Bonds6

About 2-[1-[2-(4-phenylphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile

2-[1-[2-(4-phenylphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile (PubChem CID 122252488) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[1-[2-(4-phenylphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-[2-(4-phenylphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
PubChem CID122252488
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name2-[1-[2-(4-phenylphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(OC2CN(C(=O)COc3ccc(-c4ccccc4)cc3)C2)c1
InChIInChI=1S/C23H19N3O3/c24-13-17-10-11-25-22(12-17)29-21-14-26(15-21)23(27)16-28-20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-12,21H,14-16H2
InChIKeyVUSAMZRVXFPIQT-UHFFFAOYSA-N
XLogP3.29
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252345
N-[2-[3-[(4-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]benzamide
CID 122252200
2-[1-(2,2-diphenylacetyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252365
2-[1-(4-ethoxybenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252291
2-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252256
2-[1-[2-(2,4-difluorophenyl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252535
2-[(3S)-1-benzoylpiperidin-3-yl]oxypyridine-4-carbonitrile
CID 122516236
2-[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252420
2-[1-(3-phenyl-2,1-benzoxazole-5-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252500
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
3-[(4-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide
CID 122252547

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-phenylphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 2-[1-[2-(4-phenylphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile (CID 122252488) is 2-[1-[2-(4-phenylphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-[1-[2-(4-phenylphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 2-[1-[2-(4-phenylphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile is N#Cc1ccnc(OC2CN(C(=O)COc3ccc(-c4ccccc4)cc3)C2)c1.
What is the InChIKey of 2-[1-[2-(4-phenylphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile?
The InChIKey is VUSAMZRVXFPIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c24-13-17-10-11-25-22(12-17)29-21-14-26(15-21)23(27)16-28-20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-12,21H,14-16H2.
What are the key properties of 2-[1-[2-(4-phenylphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile?
2-[1-[2-(4-phenylphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile has a molecular weight of 385.42 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-phenylphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 122252488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).