2-[1-(2,2-diphenylacetyl)azetidin-3-yl]oxypyridine-4-carbonitrile

C23H19N3O2 — CID 122252365

IUPAC2-[1-(2,2-diphenylacetyl)azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(OC2CN(C(=O)C(c3ccccc3)c3ccccc3)C2)c1
InChIInChI=1S/C23H19N3O2/c24-14-17-11-12-25-21(13-17)28-20-15-26(16-20)23(27)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-13,20,22H,15-16H2
InChIKeyFFHBCHSTCPCBLK-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.37
Rot. Bonds5

About 2-[1-(2,2-diphenylacetyl)azetidin-3-yl]oxypyridine-4-carbonitrile

2-[1-(2,2-diphenylacetyl)azetidin-3-yl]oxypyridine-4-carbonitrile (PubChem CID 122252365) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[1-(2,2-diphenylacetyl)azetidin-3-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-(2,2-diphenylacetyl)azetidin-3-yl]oxypyridine-4-carbonitrile
PubChem CID122252365
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name2-[1-(2,2-diphenylacetyl)azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(OC2CN(C(=O)C(c3ccccc3)c3ccccc3)C2)c1
InChIInChI=1S/C23H19N3O2/c24-14-17-11-12-25-21(13-17)28-20-15-26(16-20)23(27)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-13,20,22H,15-16H2
InChIKeyFFHBCHSTCPCBLK-UHFFFAOYSA-N
XLogP3.37
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-diphenylacetyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 2-[1-(2,2-diphenylacetyl)azetidin-3-yl]oxypyridine-4-carbonitrile (CID 122252365) is 2-[1-(2,2-diphenylacetyl)azetidin-3-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-[1-(2,2-diphenylacetyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 2-[1-(2,2-diphenylacetyl)azetidin-3-yl]oxypyridine-4-carbonitrile is N#Cc1ccnc(OC2CN(C(=O)C(c3ccccc3)c3ccccc3)C2)c1.
What is the InChIKey of 2-[1-(2,2-diphenylacetyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
The InChIKey is FFHBCHSTCPCBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c24-14-17-11-12-25-21(13-17)28-20-15-26(16-20)23(27)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-13,20,22H,15-16H2.
What are the key properties of 2-[1-(2,2-diphenylacetyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
2-[1-(2,2-diphenylacetyl)azetidin-3-yl]oxypyridine-4-carbonitrile has a molecular weight of 369.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-diphenylacetyl)azetidin-3-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 122252365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).