[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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Related Compounds

[4-[3-fluoro-4-[[3-(4-fluoroanilino)-3-oxopropanoyl]amino]phenoxy]-2-pyridinyl]carbamic acid
CID 23153247
[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid
CID 22936357
1-cyclohexa-1,5-dien-1-yl-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea
CID 142291403
1-[4-[[4-[4-[[2-(3,3-dimethylazetidin-1-yl)-4-pyridinyl]oxy]-2-fluoroanilino]-7-methoxyquinazolin-6-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 164869861
1-[[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 59322773
2-[4-(4-tert-butyl-3-fluorophenoxy)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane
CID 170931542
4-[4-[(2,5-difluorophenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 131953293
1-[4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]-N,N-dimethylazetidin-3-amine
CID 170746872
1-(2-fluoro-4-pyridin-4-yloxyphenyl)-3-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea
CID 72948635
4-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 58385310
methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate
CID 23153051
1-[4-[[4-[2-fluoro-4-[[2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-4-pyridinyl]oxy]anilino]-7-methoxyquinazolin-6-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 172526386

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).