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

C18H17N3O2 — CID 165435668

IUPAC4-[1-(3,4-dimethylbenzoyl)azetidin-3-yl]oxypyridine-2-carbonitrile
SMILESCc1ccc(C(=O)N2CC(Oc3ccnc(C#N)c3)C2)cc1C
InChIInChI=1S/C18H17N3O2/c1-12-3-4-14(7-13(12)2)18(22)21-10-17(11-21)23-16-5-6-20-15(8-16)9-19/h3-8,17H,10-11H2,1-2H3
InChIKeyBWINDKJCFQUBFC-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.47
Rot. Bonds3

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

4-[1-(3,4-dimethylbenzoyl)azetidin-3-yl]oxypyridine-2-carbonitrile (PubChem CID 165435668) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[1-(3,4-dimethylbenzoyl)azetidin-3-yl]oxypyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[1-(3,4-dimethylbenzoyl)azetidin-3-yl]oxypyridine-2-carbonitrile
PubChem CID165435668
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-[1-(3,4-dimethylbenzoyl)azetidin-3-yl]oxypyridine-2-carbonitrile
SMILESCc1ccc(C(=O)N2CC(Oc3ccnc(C#N)c3)C2)cc1C
InChIInChI=1S/C18H17N3O2/c1-12-3-4-14(7-13(12)2)18(22)21-10-17(11-21)23-16-5-6-20-15(8-16)9-19/h3-8,17H,10-11H2,1-2H3
InChIKeyBWINDKJCFQUBFC-UHFFFAOYSA-N
XLogP2.47
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dimethylbenzoyl)azetidin-3-yl]oxypyridine-2-carbonitrile?
The IUPAC name of 4-[1-(3,4-dimethylbenzoyl)azetidin-3-yl]oxypyridine-2-carbonitrile (CID 165435668) is 4-[1-(3,4-dimethylbenzoyl)azetidin-3-yl]oxypyridine-2-carbonitrile.
What is the SMILES notation for 4-[1-(3,4-dimethylbenzoyl)azetidin-3-yl]oxypyridine-2-carbonitrile?
The canonical SMILES for 4-[1-(3,4-dimethylbenzoyl)azetidin-3-yl]oxypyridine-2-carbonitrile is Cc1ccc(C(=O)N2CC(Oc3ccnc(C#N)c3)C2)cc1C.
What is the InChIKey of 4-[1-(3,4-dimethylbenzoyl)azetidin-3-yl]oxypyridine-2-carbonitrile?
The InChIKey is BWINDKJCFQUBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-3-4-14(7-13(12)2)18(22)21-10-17(11-21)23-16-5-6-20-15(8-16)9-19/h3-8,17H,10-11H2,1-2H3.
What are the key properties of 4-[1-(3,4-dimethylbenzoyl)azetidin-3-yl]oxypyridine-2-carbonitrile?
4-[1-(3,4-dimethylbenzoyl)azetidin-3-yl]oxypyridine-2-carbonitrile has a molecular weight of 307.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-dimethylbenzoyl)azetidin-3-yl]oxypyridine-2-carbonitrile is sourced from PubChem (CID 165435668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).