3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide

C17H18ClN3O3 — CID 122248507

IUPAC3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CC(Oc3ccc(Cl)cn3)C2)cc1
InChIInChI=1S/C17H18ClN3O3/c1-23-14-5-2-12(3-6-14)8-20-17(22)21-10-15(11-21)24-16-7-4-13(18)9-19-16/h2-7,9,15H,8,10-11H2,1H3,(H,20,22)
InChIKeyLEFXQARVMPTQDJ-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.72
Rot. Bonds5

About 3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide

3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide (PubChem CID 122248507) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide
PubChem CID122248507
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CC(Oc3ccc(Cl)cn3)C2)cc1
InChIInChI=1S/C17H18ClN3O3/c1-23-14-5-2-12(3-6-14)8-20-17(22)21-10-15(11-21)24-16-7-4-13(18)9-19-16/h2-7,9,15H,8,10-11H2,1H3,(H,20,22)
InChIKeyLEFXQARVMPTQDJ-UHFFFAOYSA-N
XLogP2.72
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-fluorophenyl)methyl]azetidine-1-carboxamide
CID 122248512
N-[(4-methoxyphenyl)methyl]-3-quinolin-2-yloxyazetidine-1-carboxamide
CID 122250572
3-[(3-bromo-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide
CID 122250099
N-[(4-chlorophenyl)methyl]-3-[(2-methyl-4-pyridinyl)oxy]azetidine-1-carboxamide
CID 163353447
N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)sulfonylazetidine-1-carboxamide
CID 90593590
2-(4-chlorophenoxy)-1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122248347
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 122248470
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 122248430
N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261595
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-ethoxyphenyl)methanone
CID 122248298
1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122248358
N-benzyl-3-[(5-cyano-2-pyridinyl)oxy]azetidine-1-carboxamide
CID 122248897

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide (CID 122248507) is 3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide is COc1ccc(CNC(=O)N2CC(Oc3ccc(Cl)cn3)C2)cc1.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide?
The InChIKey is LEFXQARVMPTQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-23-14-5-2-12(3-6-14)8-20-17(22)21-10-15(11-21)24-16-7-4-13(18)9-19-16/h2-7,9,15H,8,10-11H2,1H3,(H,20,22).
What are the key properties of 3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide?
3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide has a molecular weight of 347.80 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide is sourced from PubChem (CID 122248507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).