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

C18H17N3O4 — CID 122252345

IUPAC2-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESCOc1ccccc1OCC(=O)N1CC(Oc2cc(C#N)ccn2)C1
InChIInChI=1S/C18H17N3O4/c1-23-15-4-2-3-5-16(15)24-12-18(22)21-10-14(11-21)25-17-8-13(9-19)6-7-20-17/h2-8,14H,10-12H2,1H3
InChIKeyKZNXTKITFZJDSJ-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.63
Rot. Bonds6

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

2-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile (PubChem CID 122252345) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
PubChem CID122252345
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESCOc1ccccc1OCC(=O)N1CC(Oc2cc(C#N)ccn2)C1
InChIInChI=1S/C18H17N3O4/c1-23-15-4-2-3-5-16(15)24-12-18(22)21-10-14(11-21)25-17-8-13(9-19)6-7-20-17/h2-8,14H,10-12H2,1H3
InChIKeyKZNXTKITFZJDSJ-UHFFFAOYSA-N
XLogP1.63
TPSA84.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-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-(4-phenylphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252488
2-[1-[3-(2-methoxyphenyl)-1-methylpyrazole-5-carbonyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252461
3-[(4-cyano-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)azetidine-1-carboxamide
CID 122252567
3-[(4-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide
CID 122252572
N-[2-[3-[(4-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]benzamide
CID 122252200
2-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252256
2-[1-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252453
2-[1-[2-(2,4-difluorophenyl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252535
2-[1-(2,2-diphenylacetyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252365
2-[1-(8-methoxy-2-oxochromene-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252443
2-[1-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetyl]piperidin-3-yl]oxypyridine-4-carbonitrile
CID 122243431
methyl 4-[3-[(4-cyano-2-pyridinyl)oxy]azetidine-1-carbonyl]benzoate
CID 122252236

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 2-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile (CID 122252345) is 2-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 2-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile is COc1ccccc1OCC(=O)N1CC(Oc2cc(C#N)ccn2)C1.
What is the InChIKey of 2-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile?
The InChIKey is KZNXTKITFZJDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-23-15-4-2-3-5-16(15)24-12-18(22)21-10-14(11-21)25-17-8-13(9-19)6-7-20-17/h2-8,14H,10-12H2,1H3.
What are the key properties of 2-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile?
2-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile has a molecular weight of 339.35 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 122252345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).