tert-butyl N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate

C23H30FN3O3 — CID 90363075

IUPACtert-butyl N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate
SMILESCc1ccc2ncc(F)c(CCC34CCC(NC(=O)OC(C)(C)C)(CC3)CO4)c2n1
InChIInChI=1S/C23H30FN3O3/c1-15-5-6-18-19(26-15)16(17(24)13-25-18)7-8-23-11-9-22(10-12-23,14-29-23)27-20(28)30-21(2,3)4/h5-6,13H,7-12,14H2,1-4H3,(H,27,28)
InChIKeyWZBNALVKQPVKRL-UHFFFAOYSA-N
MW415.51 g/mol
LogP4.62
Rot. Bonds4

About tert-butyl N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate

tert-butyl N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate (PubChem CID 90363075) has the molecular formula C23H30FN3O3 and a molecular weight of 415.51 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate
PubChem CID90363075
Molecular FormulaC23H30FN3O3
Molecular Weight415.51 g/mol
Exact Mass415.23
IUPAC Nametert-butyl N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate
SMILESCc1ccc2ncc(F)c(CCC34CCC(NC(=O)OC(C)(C)C)(CC3)CO4)c2n1
InChIInChI=1S/C23H30FN3O3/c1-15-5-6-18-19(26-15)16(17(24)13-25-18)7-8-23-11-9-22(10-12-23,14-29-23)27-20(28)30-21(2,3)4/h5-6,13H,7-12,14H2,1-4H3,(H,27,28)
InChIKeyWZBNALVKQPVKRL-UHFFFAOYSA-N
XLogP4.62
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate (CID 90363075) is tert-butyl N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate is Cc1ccc2ncc(F)c(CCC34CCC(NC(=O)OC(C)(C)C)(CC3)CO4)c2n1.
What is the InChIKey of tert-butyl N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate?
The InChIKey is WZBNALVKQPVKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O3/c1-15-5-6-18-19(26-15)16(17(24)13-25-18)7-8-23-11-9-22(10-12-23,14-29-23)27-20(28)30-21(2,3)4/h5-6,13H,7-12,14H2,1-4H3,(H,27,28).
What are the key properties of tert-butyl N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate?
tert-butyl N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate has a molecular weight of 415.51 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate is sourced from PubChem (CID 90363075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).