3-[(5-chloro-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide

C16H16ClN3O2 — CID 122248522

IUPAC3-[(5-chloro-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CC(Oc2ccc(Cl)cn2)C1
InChIInChI=1S/C16H16ClN3O2/c1-11-4-2-3-5-14(11)19-16(21)20-9-13(10-20)22-15-7-6-12(17)8-18-15/h2-8,13H,9-10H2,1H3,(H,19,21)
InChIKeyDICBRQYOHZGACM-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.34
Rot. Bonds3

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

3-[(5-chloro-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide (PubChem CID 122248522) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide
PubChem CID122248522
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name3-[(5-chloro-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CC(Oc2ccc(Cl)cn2)C1
InChIInChI=1S/C16H16ClN3O2/c1-11-4-2-3-5-14(11)19-16(21)20-9-13(10-20)22-15-7-6-12(17)8-18-15/h2-8,13H,9-10H2,1H3,(H,19,21)
InChIKeyDICBRQYOHZGACM-UHFFFAOYSA-N
XLogP3.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-cyano-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide
CID 122248920
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylphenyl)methanone
CID 122248288
3-[(5-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide
CID 122248492
N-(2-methoxyphenyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122247691
2-(2-chlorophenyl)-1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122248418
3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide
CID 122248507
3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-fluorophenyl)methyl]azetidine-1-carboxamide
CID 122248512
4-chloro-1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one
CID 122248284
1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122248358
(3R)-N-(2-ethoxyphenyl)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxamide
CID 129417822
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]-(4-ethoxyphenyl)methanone
CID 122248298

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide (CID 122248522) is 3-[(5-chloro-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide is Cc1ccccc1NC(=O)N1CC(Oc2ccc(Cl)cn2)C1.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide?
The InChIKey is DICBRQYOHZGACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-11-4-2-3-5-14(11)19-16(21)20-9-13(10-20)22-15-7-6-12(17)8-18-15/h2-8,13H,9-10H2,1H3,(H,19,21).
What are the key properties of 3-[(5-chloro-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide?
3-[(5-chloro-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide has a molecular weight of 317.78 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 122248522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).