[2-fluoro-3-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]phenyl]methyl N-methylcarbamate

C18H20FN3O3 — CID 129045925

IUPAC[2-fluoro-3-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]phenyl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1cccc(N2CC(Oc3ccc(C)nc3)C2)c1F
InChIInChI=1S/C18H20FN3O3/c1-12-6-7-14(8-21-12)25-15-9-22(10-15)16-5-3-4-13(17(16)19)11-24-18(23)20-2/h3-8,15H,9-11H2,1-2H3,(H,20,23)
InChIKeyKTQOHUDGIYVMJO-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.65
Rot. Bonds5

About [2-fluoro-3-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]phenyl]methyl N-methylcarbamate

[2-fluoro-3-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]phenyl]methyl N-methylcarbamate (PubChem CID 129045925) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is [2-fluoro-3-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]phenyl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[2-fluoro-3-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]phenyl]methyl N-methylcarbamate
PubChem CID129045925
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name[2-fluoro-3-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]phenyl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1cccc(N2CC(Oc3ccc(C)nc3)C2)c1F
InChIInChI=1S/C18H20FN3O3/c1-12-6-7-14(8-21-12)25-15-9-22(10-15)16-5-3-4-13(17(16)19)11-24-18(23)20-2/h3-8,15H,9-11H2,1-2H3,(H,20,23)
InChIKeyKTQOHUDGIYVMJO-UHFFFAOYSA-N
XLogP2.65
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]phenyl]methyl N-methylcarbamate?
The IUPAC name of [2-fluoro-3-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]phenyl]methyl N-methylcarbamate (CID 129045925) is [2-fluoro-3-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]phenyl]methyl N-methylcarbamate.
What is the SMILES notation for [2-fluoro-3-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]phenyl]methyl N-methylcarbamate?
The canonical SMILES for [2-fluoro-3-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]phenyl]methyl N-methylcarbamate is CNC(=O)OCc1cccc(N2CC(Oc3ccc(C)nc3)C2)c1F.
What is the InChIKey of [2-fluoro-3-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]phenyl]methyl N-methylcarbamate?
The InChIKey is KTQOHUDGIYVMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-12-6-7-14(8-21-12)25-15-9-22(10-15)16-5-3-4-13(17(16)19)11-24-18(23)20-2/h3-8,15H,9-11H2,1-2H3,(H,20,23).
What are the key properties of [2-fluoro-3-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]phenyl]methyl N-methylcarbamate?
[2-fluoro-3-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]phenyl]methyl N-methylcarbamate has a molecular weight of 345.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]phenyl]methyl N-methylcarbamate is sourced from PubChem (CID 129045925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).