tert-butyl 3-[[6-(4-carbamoyl-3-fluorophenyl)-3-pyridinyl]oxy]azetidine-1-carboxylate

C20H22FN3O4 — CID 58180454

IUPACtert-butyl 3-[[6-(4-carbamoyl-3-fluorophenyl)-3-pyridinyl]oxy]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Oc2ccc(-c3ccc(C(N)=O)c(F)c3)nc2)C1
InChIInChI=1S/C20H22FN3O4/c1-20(2,3)28-19(26)24-10-14(11-24)27-13-5-7-17(23-9-13)12-4-6-15(18(22)25)16(21)8-12/h4-9,14H,10-11H2,1-3H3,(H2,22,25)
InChIKeyFUJNIDIKPMIAJR-UHFFFAOYSA-N
MW387.41 g/mol
LogP2.98
Rot. Bonds4

About tert-butyl 3-[[6-(4-carbamoyl-3-fluorophenyl)-3-pyridinyl]oxy]azetidine-1-carboxylate

tert-butyl 3-[[6-(4-carbamoyl-3-fluorophenyl)-3-pyridinyl]oxy]azetidine-1-carboxylate (PubChem CID 58180454) has the molecular formula C20H22FN3O4 and a molecular weight of 387.41 g/mol. Its IUPAC name is tert-butyl 3-[[6-(4-carbamoyl-3-fluorophenyl)-3-pyridinyl]oxy]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[6-(4-carbamoyl-3-fluorophenyl)-3-pyridinyl]oxy]azetidine-1-carboxylate
PubChem CID58180454
Molecular FormulaC20H22FN3O4
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Nametert-butyl 3-[[6-(4-carbamoyl-3-fluorophenyl)-3-pyridinyl]oxy]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Oc2ccc(-c3ccc(C(N)=O)c(F)c3)nc2)C1
InChIInChI=1S/C20H22FN3O4/c1-20(2,3)28-19(26)24-10-14(11-24)27-13-5-7-17(23-9-13)12-4-6-15(18(22)25)16(21)8-12/h4-9,14H,10-11H2,1-3H3,(H2,22,25)
InChIKeyFUJNIDIKPMIAJR-UHFFFAOYSA-N
XLogP2.98
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[[6-(4-carbamoyl-3-fluorophenyl)-3-pyridinyl]oxy]azetidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-(3-carbamoyl-4-chlorophenoxy)azetidine-1-carboxylate
CID 57423002
3-fluoro-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxypyridine-2-carboxylic acid
CID 170311145
2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide
CID 25264638
tert-butyl 3-[(6-cyano-3-pyridinyl)oxy]azetidine-1-carboxylate
CID 162385936
tert-butyl 3-(4-hydroxyphenoxy)azetidine-1-carboxylate
CID 162516277
tert-butyl 3-[(6-piperazin-1-yl-3-pyridinyl)oxy]azetidine-1-carboxylate
CID 58456721
tert-butyl 3-[[6-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate;ethane
CID 144728071
tert-butyl 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]azetidine-1-carboxylate
CID 167187799
4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-2-pyridinyl]-3-oxopiperazine-1-carboxylic acid
CID 123699393
tert-butyl 3-(2,4,5-trifluorophenoxy)azetidine-1-carboxylate
CID 24902669
tert-butyl 3-[(6-chloro-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 86696181
tert-butyl 3-(4-bromo-3-methoxycarbonylphenoxy)azetidine-1-carboxylate
CID 170354313

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[6-(4-carbamoyl-3-fluorophenyl)-3-pyridinyl]oxy]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[6-(4-carbamoyl-3-fluorophenyl)-3-pyridinyl]oxy]azetidine-1-carboxylate (CID 58180454) is tert-butyl 3-[[6-(4-carbamoyl-3-fluorophenyl)-3-pyridinyl]oxy]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[6-(4-carbamoyl-3-fluorophenyl)-3-pyridinyl]oxy]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[6-(4-carbamoyl-3-fluorophenyl)-3-pyridinyl]oxy]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3ccc(C(N)=O)c(F)c3)nc2)C1.
What is the InChIKey of tert-butyl 3-[[6-(4-carbamoyl-3-fluorophenyl)-3-pyridinyl]oxy]azetidine-1-carboxylate?
The InChIKey is FUJNIDIKPMIAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4/c1-20(2,3)28-19(26)24-10-14(11-24)27-13-5-7-17(23-9-13)12-4-6-15(18(22)25)16(21)8-12/h4-9,14H,10-11H2,1-3H3,(H2,22,25).
What are the key properties of tert-butyl 3-[[6-(4-carbamoyl-3-fluorophenyl)-3-pyridinyl]oxy]azetidine-1-carboxylate?
tert-butyl 3-[[6-(4-carbamoyl-3-fluorophenyl)-3-pyridinyl]oxy]azetidine-1-carboxylate has a molecular weight of 387.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[6-(4-carbamoyl-3-fluorophenyl)-3-pyridinyl]oxy]azetidine-1-carboxylate is sourced from PubChem (CID 58180454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).