(3-methylphenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone

C17H18N2O2 — CID 122249483

IUPAC(3-methylphenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CC(Oc3cccc(C)n3)C2)c1
InChIInChI=1S/C17H18N2O2/c1-12-5-3-7-14(9-12)17(20)19-10-15(11-19)21-16-8-4-6-13(2)18-16/h3-9,15H,10-11H2,1-2H3
InChIKeyCJBBFKBKRTZRBK-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.60
Rot. Bonds3

About (3-methylphenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone

(3-methylphenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone (PubChem CID 122249483) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (3-methylphenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone
PubChem CID122249483
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(3-methylphenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CC(Oc3cccc(C)n3)C2)c1
InChIInChI=1S/C17H18N2O2/c1-12-5-3-7-14(9-12)17(20)19-10-15(11-19)21-16-8-4-6-13(2)18-16/h3-9,15H,10-11H2,1-2H3
InChIKeyCJBBFKBKRTZRBK-UHFFFAOYSA-N
XLogP2.60
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122249452
5-[3-[(6-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]-1H-pyridin-2-one
CID 122249403
(2,6-difluorophenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 122249513
[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]-pyrazin-2-ylmethanone
CID 122249628
1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one
CID 122249453
(4-bromophenyl)-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129417594
3-[(6-methyl-2-pyridinyl)oxy]-N-propan-2-ylazetidine-1-carboxamide
CID 122249708
(3-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162413
[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 90637330
1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]-2-propylpentan-1-one
CID 122249461
4-bromo-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one
CID 122249599
(4-methylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251806

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone?
The IUPAC name of (3-methylphenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone (CID 122249483) is (3-methylphenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone.
What is the SMILES notation for (3-methylphenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone?
The canonical SMILES for (3-methylphenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone is Cc1cccc(C(=O)N2CC(Oc3cccc(C)n3)C2)c1.
What is the InChIKey of (3-methylphenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone?
The InChIKey is CJBBFKBKRTZRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-5-3-7-14(9-12)17(20)19-10-15(11-19)21-16-8-4-6-13(2)18-16/h3-9,15H,10-11H2,1-2H3.
What are the key properties of (3-methylphenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone?
(3-methylphenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone has a molecular weight of 282.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone is sourced from PubChem (CID 122249483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).