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

C20H21N3O3 — CID 122249155

IUPAC2-[1-[2-(4-propan-2-ylphenoxy)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESCC(C)c1ccc(OCC(=O)N2CC(Oc3ncccc3C#N)C2)cc1
InChIInChI=1S/C20H21N3O3/c1-14(2)15-5-7-17(8-6-15)25-13-19(24)23-11-18(12-23)26-20-16(10-21)4-3-9-22-20/h3-9,14,18H,11-13H2,1-2H3
InChIKeyAAAXYPKAFAMBFV-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.75
Rot. Bonds6

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

2-[1-[2-(4-propan-2-ylphenoxy)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile (PubChem CID 122249155) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[1-[2-(4-propan-2-ylphenoxy)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-[2-(4-propan-2-ylphenoxy)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
PubChem CID122249155
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-[1-[2-(4-propan-2-ylphenoxy)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESCC(C)c1ccc(OCC(=O)N2CC(Oc3ncccc3C#N)C2)cc1
InChIInChI=1S/C20H21N3O3/c1-14(2)15-5-7-17(8-6-15)25-13-19(24)23-11-18(12-23)26-20-16(10-21)4-3-9-22-20/h3-9,14,18H,11-13H2,1-2H3
InChIKeyAAAXYPKAFAMBFV-UHFFFAOYSA-N
XLogP2.75
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-propan-2-ylphenoxy)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 2-[1-[2-(4-propan-2-ylphenoxy)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile (CID 122249155) is 2-[1-[2-(4-propan-2-ylphenoxy)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-[2-(4-propan-2-ylphenoxy)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 2-[1-[2-(4-propan-2-ylphenoxy)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile is CC(C)c1ccc(OCC(=O)N2CC(Oc3ncccc3C#N)C2)cc1.
What is the InChIKey of 2-[1-[2-(4-propan-2-ylphenoxy)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile?
The InChIKey is AAAXYPKAFAMBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14(2)15-5-7-17(8-6-15)25-13-19(24)23-11-18(12-23)26-20-16(10-21)4-3-9-22-20/h3-9,14,18H,11-13H2,1-2H3.
What are the key properties of 2-[1-[2-(4-propan-2-ylphenoxy)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile?
2-[1-[2-(4-propan-2-ylphenoxy)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile has a molecular weight of 351.41 g/mol, XLogP of 2.75, 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-propan-2-ylphenoxy)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 122249155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).