2-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]isoindole-1,3-dione

C19H17N3O4 — CID 155981880

IUPAC2-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESCc1cc(OC2CN(C(=O)CN3C(=O)c4ccccc4C3=O)C2)ccn1
InChIInChI=1S/C19H17N3O4/c1-12-8-13(6-7-20-12)26-14-9-21(10-14)17(23)11-22-18(24)15-4-2-3-5-16(15)19(22)25/h2-8,14H,9-11H2,1H3
InChIKeyZOYKSRASYMIZTB-UHFFFAOYSA-N
MW351.36 g/mol
LogP1.28
Rot. Bonds4

About 2-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]isoindole-1,3-dione

2-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]isoindole-1,3-dione (PubChem CID 155981880) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
PubChem CID155981880
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name2-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESCc1cc(OC2CN(C(=O)CN3C(=O)c4ccccc4C3=O)C2)ccn1
InChIInChI=1S/C19H17N3O4/c1-12-8-13(6-7-20-12)26-14-9-21(10-14)17(23)11-22-18(24)15-4-2-3-5-16(15)19(22)25/h2-8,14H,9-11H2,1H3
InChIKeyZOYKSRASYMIZTB-UHFFFAOYSA-N
XLogP1.28
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]isoindole-1,3-dione with MolForge

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Related Compounds

6-methyl-3-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 155977356
3-[5-[3-[(2-methyl-4-pyridinyl)oxy]azetidine-1-carbonyl]thiophen-2-yl]-1-phenylpropan-1-one
CID 163586753
2-[2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 121197508
2-[2-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110638923
N-[(4-chlorophenyl)methyl]-3-[(2-methyl-4-pyridinyl)oxy]azetidine-1-carboxamide
CID 163353447
2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110749728
2-[2-oxo-2-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethyl]isoindole-1,3-dione
CID 122267536
4-[1-(2-chlorophenyl)sulfonylazetidin-3-yl]oxy-2-methylpyridine
CID 155801121
2-(benzotriazol-2-yl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone
CID 70750140
(6-cyclopentyloxy-3-pyridinyl)-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]methanone
CID 163353377
4-cyclobutyloxy-2-methylpyridine
CID 70661228
3-[2-oxo-2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 139027827

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]isoindole-1,3-dione (CID 155981880) is 2-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]isoindole-1,3-dione is Cc1cc(OC2CN(C(=O)CN3C(=O)c4ccccc4C3=O)C2)ccn1.
What is the InChIKey of 2-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is ZOYKSRASYMIZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-12-8-13(6-7-20-12)26-14-9-21(10-14)17(23)11-22-18(24)15-4-2-3-5-16(15)19(22)25/h2-8,14H,9-11H2,1H3.
What are the key properties of 2-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
2-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 351.36 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 155981880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).