tert-butyl N-methyl-N-[1-(2-methyl-4-pyridinyl)azetidin-3-yl]carbamate

C15H23N3O2 — CID 66805338

IUPACtert-butyl N-methyl-N-[1-(2-methyl-4-pyridinyl)azetidin-3-yl]carbamate
SMILESCc1cc(N2CC(N(C)C(=O)OC(C)(C)C)C2)ccn1
InChIInChI=1S/C15H23N3O2/c1-11-8-12(6-7-16-11)18-9-13(10-18)17(5)14(19)20-15(2,3)4/h6-8,13H,9-10H2,1-5H3
InChIKeyIBQIVGSAJSSQJW-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.45
Rot. Bonds2

About tert-butyl N-methyl-N-[1-(2-methyl-4-pyridinyl)azetidin-3-yl]carbamate

tert-butyl N-methyl-N-[1-(2-methyl-4-pyridinyl)azetidin-3-yl]carbamate (PubChem CID 66805338) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-(2-methyl-4-pyridinyl)azetidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-(2-methyl-4-pyridinyl)azetidin-3-yl]carbamate
PubChem CID66805338
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nametert-butyl N-methyl-N-[1-(2-methyl-4-pyridinyl)azetidin-3-yl]carbamate
SMILESCc1cc(N2CC(N(C)C(=O)OC(C)(C)C)C2)ccn1
InChIInChI=1S/C15H23N3O2/c1-11-8-12(6-7-16-11)18-9-13(10-18)17(5)14(19)20-15(2,3)4/h6-8,13H,9-10H2,1-5H3
InChIKeyIBQIVGSAJSSQJW-UHFFFAOYSA-N
XLogP2.45
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-(2-methyl-4-pyridinyl)azetidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-(2-methyl-4-pyridinyl)azetidin-3-yl]carbamate (CID 66805338) is tert-butyl N-methyl-N-[1-(2-methyl-4-pyridinyl)azetidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-(2-methyl-4-pyridinyl)azetidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-(2-methyl-4-pyridinyl)azetidin-3-yl]carbamate is Cc1cc(N2CC(N(C)C(=O)OC(C)(C)C)C2)ccn1.
What is the InChIKey of tert-butyl N-methyl-N-[1-(2-methyl-4-pyridinyl)azetidin-3-yl]carbamate?
The InChIKey is IBQIVGSAJSSQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-8-12(6-7-16-11)18-9-13(10-18)17(5)14(19)20-15(2,3)4/h6-8,13H,9-10H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[1-(2-methyl-4-pyridinyl)azetidin-3-yl]carbamate?
tert-butyl N-methyl-N-[1-(2-methyl-4-pyridinyl)azetidin-3-yl]carbamate has a molecular weight of 277.37 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-(2-methyl-4-pyridinyl)azetidin-3-yl]carbamate is sourced from PubChem (CID 66805338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).