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

C18H17N3O3 — CID 122252291

IUPAC2-[1-(4-ethoxybenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESCCOc1ccc(C(=O)N2CC(Oc3cc(C#N)ccn3)C2)cc1
InChIInChI=1S/C18H17N3O3/c1-2-23-15-5-3-14(4-6-15)18(22)21-11-16(12-21)24-17-9-13(10-19)7-8-20-17/h3-9,16H,2,11-12H2,1H3
InChIKeyKPJLMMGKVPELIS-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.26
Rot. Bonds5

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

2-[1-(4-ethoxybenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile (PubChem CID 122252291) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[1-(4-ethoxybenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-(4-ethoxybenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
PubChem CID122252291
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-[1-(4-ethoxybenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESCCOc1ccc(C(=O)N2CC(Oc3cc(C#N)ccn3)C2)cc1
InChIInChI=1S/C18H17N3O3/c1-2-23-15-5-3-14(4-6-15)18(22)21-11-16(12-21)24-17-9-13(10-19)7-8-20-17/h3-9,16H,2,11-12H2,1H3
InChIKeyKPJLMMGKVPELIS-UHFFFAOYSA-N
XLogP2.26
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxybenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 2-[1-(4-ethoxybenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile (CID 122252291) is 2-[1-(4-ethoxybenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-[1-(4-ethoxybenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 2-[1-(4-ethoxybenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile is CCOc1ccc(C(=O)N2CC(Oc3cc(C#N)ccn3)C2)cc1.
What is the InChIKey of 2-[1-(4-ethoxybenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
The InChIKey is KPJLMMGKVPELIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-2-23-15-5-3-14(4-6-15)18(22)21-11-16(12-21)24-17-9-13(10-19)7-8-20-17/h3-9,16H,2,11-12H2,1H3.
What are the key properties of 2-[1-(4-ethoxybenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
2-[1-(4-ethoxybenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile has a molecular weight of 323.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxybenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 122252291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).