tert-butyl N-[6-[(3-fluoroazetidin-1-yl)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate

C18H26FN3O3 — CID 157096064

IUPACtert-butyl N-[6-[(3-fluoroazetidin-1-yl)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C2CCOC2)c(CN2CC(F)C2)n1
InChIInChI=1S/C18H26FN3O3/c1-18(2,3)25-17(23)21-16-5-4-14(12-6-7-24-11-12)15(20-16)10-22-8-13(19)9-22/h4-5,12-13H,6-11H2,1-3H3,(H,20,21,23)
InChIKeyOQZDQYBSJCFKEG-UHFFFAOYSA-N
MW351.42 g/mol
LogP3.09
Rot. Bonds4

About tert-butyl N-[6-[(3-fluoroazetidin-1-yl)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate

tert-butyl N-[6-[(3-fluoroazetidin-1-yl)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate (PubChem CID 157096064) has the molecular formula C18H26FN3O3 and a molecular weight of 351.42 g/mol. Its IUPAC name is tert-butyl N-[6-[(3-fluoroazetidin-1-yl)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[(3-fluoroazetidin-1-yl)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate
PubChem CID157096064
Molecular FormulaC18H26FN3O3
Molecular Weight351.42 g/mol
Exact Mass351.20
IUPAC Nametert-butyl N-[6-[(3-fluoroazetidin-1-yl)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C2CCOC2)c(CN2CC(F)C2)n1
InChIInChI=1S/C18H26FN3O3/c1-18(2,3)25-17(23)21-16-5-4-14(12-6-7-24-11-12)15(20-16)10-22-8-13(19)9-22/h4-5,12-13H,6-11H2,1-3H3,(H,20,21,23)
InChIKeyOQZDQYBSJCFKEG-UHFFFAOYSA-N
XLogP3.09
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[(3-fluoroazetidin-1-yl)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-[(3-fluoroazetidin-1-yl)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate (CID 157096064) is tert-butyl N-[6-[(3-fluoroazetidin-1-yl)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[(3-fluoroazetidin-1-yl)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-[(3-fluoroazetidin-1-yl)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(C2CCOC2)c(CN2CC(F)C2)n1.
What is the InChIKey of tert-butyl N-[6-[(3-fluoroazetidin-1-yl)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate?
The InChIKey is OQZDQYBSJCFKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O3/c1-18(2,3)25-17(23)21-16-5-4-14(12-6-7-24-11-12)15(20-16)10-22-8-13(19)9-22/h4-5,12-13H,6-11H2,1-3H3,(H,20,21,23).
What are the key properties of tert-butyl N-[6-[(3-fluoroazetidin-1-yl)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate?
tert-butyl N-[6-[(3-fluoroazetidin-1-yl)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate has a molecular weight of 351.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[(3-fluoroazetidin-1-yl)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 157096064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).