3-[(4-cyano-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)azetidine-1-carboxamide

C18H18N4O4 — CID 122252567

IUPAC3-[(4-cyano-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)azetidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CC(Oc3cc(C#N)ccn3)C2)c1OC
InChIInChI=1S/C18H18N4O4/c1-24-15-5-3-4-14(17(15)25-2)21-18(23)22-10-13(11-22)26-16-8-12(9-19)6-7-20-16/h3-8,13H,10-11H2,1-2H3,(H,21,23)
InChIKeyRBQOMZOJYYQVJE-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.27
Rot. Bonds5

About 3-[(4-cyano-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)azetidine-1-carboxamide

3-[(4-cyano-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)azetidine-1-carboxamide (PubChem CID 122252567) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 3-[(4-cyano-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(4-cyano-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)azetidine-1-carboxamide
PubChem CID122252567
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name3-[(4-cyano-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)azetidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CC(Oc3cc(C#N)ccn3)C2)c1OC
InChIInChI=1S/C18H18N4O4/c1-24-15-5-3-4-14(17(15)25-2)21-18(23)22-10-13(11-22)26-16-8-12(9-19)6-7-20-16/h3-8,13H,10-11H2,1-2H3,(H,21,23)
InChIKeyRBQOMZOJYYQVJE-UHFFFAOYSA-N
XLogP2.27
TPSA96.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide
CID 122252547
N-(2,3-dimethoxyphenyl)-3-[(6-methyl-2-pyridinyl)oxy]azetidine-1-carboxamide
CID 122249694
2-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252345
3-[(4-cyano-2-pyridinyl)oxymethyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 138988354
3-[(4-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide
CID 122252572
2-[1-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252453
2-[1-(8-methoxy-2-oxochromene-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252443
2-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252256
methyl 4-[3-[(4-cyano-2-pyridinyl)oxy]azetidine-1-carbonyl]benzoate
CID 122252236
2-[1-[3-(2-methoxyphenyl)-1-methylpyrazole-5-carbonyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252461
3-[(4-cyano-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide
CID 122252570
N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide
CID 122247300

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyano-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-[(4-cyano-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)azetidine-1-carboxamide (CID 122252567) is 3-[(4-cyano-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[(4-cyano-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-[(4-cyano-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)azetidine-1-carboxamide is COc1cccc(NC(=O)N2CC(Oc3cc(C#N)ccn3)C2)c1OC.
What is the InChIKey of 3-[(4-cyano-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)azetidine-1-carboxamide?
The InChIKey is RBQOMZOJYYQVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-24-15-5-3-4-14(17(15)25-2)21-18(23)22-10-13(11-22)26-16-8-12(9-19)6-7-20-16/h3-8,13H,10-11H2,1-2H3,(H,21,23).
What are the key properties of 3-[(4-cyano-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)azetidine-1-carboxamide?
3-[(4-cyano-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)azetidine-1-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyano-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 122252567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).