tert-butyl 3-[(6-cyano-3-pyridinyl)oxy]azetidine-1-carboxylate

C14H17N3O3 — CID 162385936

IUPACtert-butyl 3-[(6-cyano-3-pyridinyl)oxy]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Oc2ccc(C#N)nc2)C1
InChIInChI=1S/C14H17N3O3/c1-14(2,3)20-13(18)17-8-12(9-17)19-11-5-4-10(6-15)16-7-11/h4-5,7,12H,8-9H2,1-3H3
InChIKeyPYYUYIBLAYNWAS-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.95
Rot. Bonds2

About tert-butyl 3-[(6-cyano-3-pyridinyl)oxy]azetidine-1-carboxylate

tert-butyl 3-[(6-cyano-3-pyridinyl)oxy]azetidine-1-carboxylate (PubChem CID 162385936) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is tert-butyl 3-[(6-cyano-3-pyridinyl)oxy]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(6-cyano-3-pyridinyl)oxy]azetidine-1-carboxylate
PubChem CID162385936
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Nametert-butyl 3-[(6-cyano-3-pyridinyl)oxy]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Oc2ccc(C#N)nc2)C1
InChIInChI=1S/C14H17N3O3/c1-14(2,3)20-13(18)17-8-12(9-17)19-11-5-4-10(6-15)16-7-11/h4-5,7,12H,8-9H2,1-3H3
InChIKeyPYYUYIBLAYNWAS-UHFFFAOYSA-N
XLogP1.95
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[(6-cyano-3-pyridinyl)sulfonyl]azetidine-1-carboxylate
CID 155230392
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-chloro-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 86696181
4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxy-2-pyridinyl]-3-oxopiperazine-1-carboxylic acid
CID 123699393
3-fluoro-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxypyridine-2-carboxylic acid
CID 170311145
tert-butyl 3-(2-cyano-4-pyridinyl)azetidine-1-carboxylate
CID 156819069
tert-butyl 4-[(6-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 119087105
tert-butyl 3-[[6-(4-carbamoyl-3-fluorophenyl)-3-pyridinyl]oxy]azetidine-1-carboxylate
CID 58180454
tert-butyl 3-(4-aminophenoxy)azetidine-1-carboxylate;tert-butyl 3-(4-isothiocyanatophenoxy)azetidine-1-carboxylate
CID 158707690
tert-butyl (3S)-4-(5-cyano-2-pyridinyl)-3,5-dimethylpiperazine-1-carboxylate
CID 167217529
tert-butyl 2-(6-cyano-3-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 155770085

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(6-cyano-3-pyridinyl)oxy]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(6-cyano-3-pyridinyl)oxy]azetidine-1-carboxylate (CID 162385936) is tert-butyl 3-[(6-cyano-3-pyridinyl)oxy]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(6-cyano-3-pyridinyl)oxy]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(6-cyano-3-pyridinyl)oxy]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(Oc2ccc(C#N)nc2)C1.
What is the InChIKey of tert-butyl 3-[(6-cyano-3-pyridinyl)oxy]azetidine-1-carboxylate?
The InChIKey is PYYUYIBLAYNWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-14(2,3)20-13(18)17-8-12(9-17)19-11-5-4-10(6-15)16-7-11/h4-5,7,12H,8-9H2,1-3H3.
What are the key properties of tert-butyl 3-[(6-cyano-3-pyridinyl)oxy]azetidine-1-carboxylate?
tert-butyl 3-[(6-cyano-3-pyridinyl)oxy]azetidine-1-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(6-cyano-3-pyridinyl)oxy]azetidine-1-carboxylate is sourced from PubChem (CID 162385936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).