[2-fluoro-4-[[2-(3-methoxy-3-methylazetidin-1-yl)-4-pyridinyl]oxy]phenyl]carbamic acid

C17H18FN3O4 — CID 174192059

IUPAC[2-fluoro-4-[[2-(3-methoxy-3-methylazetidin-1-yl)-4-pyridinyl]oxy]phenyl]carbamic acid
SMILESCOC1(C)CN(c2cc(Oc3ccc(NC(=O)O)c(F)c3)ccn2)C1
InChIInChI=1S/C17H18FN3O4/c1-17(24-2)9-21(10-17)15-8-12(5-6-19-15)25-11-3-4-14(13(18)7-11)20-16(22)23/h3-8,20H,9-10H2,1-2H3,(H,22,23)
InChIKeyQPIZIKYPGOABJZ-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.33
Rot. Bonds5

About [2-fluoro-4-[[2-(3-methoxy-3-methylazetidin-1-yl)-4-pyridinyl]oxy]phenyl]carbamic acid

[2-fluoro-4-[[2-(3-methoxy-3-methylazetidin-1-yl)-4-pyridinyl]oxy]phenyl]carbamic acid (PubChem CID 174192059) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is [2-fluoro-4-[[2-(3-methoxy-3-methylazetidin-1-yl)-4-pyridinyl]oxy]phenyl]carbamic acid.

Molecular Properties

Compound Name[2-fluoro-4-[[2-(3-methoxy-3-methylazetidin-1-yl)-4-pyridinyl]oxy]phenyl]carbamic acid
PubChem CID174192059
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC Name[2-fluoro-4-[[2-(3-methoxy-3-methylazetidin-1-yl)-4-pyridinyl]oxy]phenyl]carbamic acid
SMILESCOC1(C)CN(c2cc(Oc3ccc(NC(=O)O)c(F)c3)ccn2)C1
InChIInChI=1S/C17H18FN3O4/c1-17(24-2)9-21(10-17)15-8-12(5-6-19-15)25-11-3-4-14(13(18)7-11)20-16(22)23/h3-8,20H,9-10H2,1-2H3,(H,22,23)
InChIKeyQPIZIKYPGOABJZ-UHFFFAOYSA-N
XLogP3.33
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-[[2-(3-methoxy-3-methylazetidin-1-yl)-4-pyridinyl]oxy]phenyl]carbamic acid?
The IUPAC name of [2-fluoro-4-[[2-(3-methoxy-3-methylazetidin-1-yl)-4-pyridinyl]oxy]phenyl]carbamic acid (CID 174192059) is [2-fluoro-4-[[2-(3-methoxy-3-methylazetidin-1-yl)-4-pyridinyl]oxy]phenyl]carbamic acid.
What is the SMILES notation for [2-fluoro-4-[[2-(3-methoxy-3-methylazetidin-1-yl)-4-pyridinyl]oxy]phenyl]carbamic acid?
The canonical SMILES for [2-fluoro-4-[[2-(3-methoxy-3-methylazetidin-1-yl)-4-pyridinyl]oxy]phenyl]carbamic acid is COC1(C)CN(c2cc(Oc3ccc(NC(=O)O)c(F)c3)ccn2)C1.
What is the InChIKey of [2-fluoro-4-[[2-(3-methoxy-3-methylazetidin-1-yl)-4-pyridinyl]oxy]phenyl]carbamic acid?
The InChIKey is QPIZIKYPGOABJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c1-17(24-2)9-21(10-17)15-8-12(5-6-19-15)25-11-3-4-14(13(18)7-11)20-16(22)23/h3-8,20H,9-10H2,1-2H3,(H,22,23).
What are the key properties of [2-fluoro-4-[[2-(3-methoxy-3-methylazetidin-1-yl)-4-pyridinyl]oxy]phenyl]carbamic acid?
[2-fluoro-4-[[2-(3-methoxy-3-methylazetidin-1-yl)-4-pyridinyl]oxy]phenyl]carbamic acid has a molecular weight of 347.35 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-[[2-(3-methoxy-3-methylazetidin-1-yl)-4-pyridinyl]oxy]phenyl]carbamic acid is sourced from PubChem (CID 174192059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).