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

C18H17N3O4 — CID 122249097

IUPAC2-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESCOc1ccc(C(=O)N2CC(Oc3ncccc3C#N)C2)c(OC)c1
InChIInChI=1S/C18H17N3O4/c1-23-13-5-6-15(16(8-13)24-2)18(22)21-10-14(11-21)25-17-12(9-19)4-3-7-20-17/h3-8,14H,10-11H2,1-2H3
InChIKeyKZKBRFSZVFVIRZ-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.87
Rot. Bonds5

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

2-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile (PubChem CID 122249097) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
PubChem CID122249097
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESCOc1ccc(C(=O)N2CC(Oc3ncccc3C#N)C2)c(OC)c1
InChIInChI=1S/C18H17N3O4/c1-23-13-5-6-15(16(8-13)24-2)18(22)21-10-14(11-21)25-17-12(9-19)4-3-7-20-17/h3-8,14H,10-11H2,1-2H3
InChIKeyKZKBRFSZVFVIRZ-UHFFFAOYSA-N
XLogP1.87
TPSA84.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2,5-dimethylfuran-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249209
2-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249084
2-[1-(3,4-diethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249102
2-[1-(4-tert-butylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249089
3-[(3-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide
CID 122249300
ethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate
CID 122249189
2-[1-(4-nitrobenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249124
2-[1-(furan-2-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249180
2-[1-(thiophene-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249236
methyl 4-[(3-cyano-2-pyridinyl)oxy]-2-methoxybenzoate
CID 122145206
2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799041
2-[1-(5-bromofuran-2-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249181

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 2-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile (CID 122249097) is 2-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 2-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile is COc1ccc(C(=O)N2CC(Oc3ncccc3C#N)C2)c(OC)c1.
What is the InChIKey of 2-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The InChIKey is KZKBRFSZVFVIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-23-13-5-6-15(16(8-13)24-2)18(22)21-10-14(11-21)25-17-12(9-19)4-3-7-20-17/h3-8,14H,10-11H2,1-2H3.
What are the key properties of 2-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
2-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile has a molecular weight of 339.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 122249097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).