tert-butyl N-[2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)ethyl]-N-(2-oxabicyclo[2.2.2]octan-4-yl)carbamate

C24H32FN3O4 — CID 71151167

IUPACtert-butyl N-[2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)ethyl]-N-(2-oxabicyclo[2.2.2]octan-4-yl)carbamate
SMILESCOc1cc(C)c2ncc(F)c(CCN(C(=O)OC(C)(C)C)C34CCC(CC3)OC4)c2n1
InChIInChI=1S/C24H32FN3O4/c1-15-12-19(30-5)27-21-17(18(25)13-26-20(15)21)8-11-28(22(29)32-23(2,3)4)24-9-6-16(7-10-24)31-14-24/h12-13,16H,6-11,14H2,1-5H3
InChIKeyUYTNDTCHWPRMHC-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.58
Rot. Bonds5

About tert-butyl N-[2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)ethyl]-N-(2-oxabicyclo[2.2.2]octan-4-yl)carbamate

tert-butyl N-[2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)ethyl]-N-(2-oxabicyclo[2.2.2]octan-4-yl)carbamate (PubChem CID 71151167) has the molecular formula C24H32FN3O4 and a molecular weight of 445.54 g/mol. Its IUPAC name is tert-butyl N-[2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)ethyl]-N-(2-oxabicyclo[2.2.2]octan-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)ethyl]-N-(2-oxabicyclo[2.2.2]octan-4-yl)carbamate
PubChem CID71151167
Molecular FormulaC24H32FN3O4
Molecular Weight445.54 g/mol
Exact Mass445.24
IUPAC Nametert-butyl N-[2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)ethyl]-N-(2-oxabicyclo[2.2.2]octan-4-yl)carbamate
SMILESCOc1cc(C)c2ncc(F)c(CCN(C(=O)OC(C)(C)C)C34CCC(CC3)OC4)c2n1
InChIInChI=1S/C24H32FN3O4/c1-15-12-19(30-5)27-21-17(18(25)13-26-20(15)21)8-11-28(22(29)32-23(2,3)4)24-9-6-16(7-10-24)31-14-24/h12-13,16H,6-11,14H2,1-5H3
InChIKeyUYTNDTCHWPRMHC-UHFFFAOYSA-N
XLogP4.58
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)ethyl]-N-(2-oxabicyclo[2.2.2]octan-4-yl)carbamate?
The IUPAC name of tert-butyl N-[2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)ethyl]-N-(2-oxabicyclo[2.2.2]octan-4-yl)carbamate (CID 71151167) is tert-butyl N-[2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)ethyl]-N-(2-oxabicyclo[2.2.2]octan-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)ethyl]-N-(2-oxabicyclo[2.2.2]octan-4-yl)carbamate?
The canonical SMILES for tert-butyl N-[2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)ethyl]-N-(2-oxabicyclo[2.2.2]octan-4-yl)carbamate is COc1cc(C)c2ncc(F)c(CCN(C(=O)OC(C)(C)C)C34CCC(CC3)OC4)c2n1.
What is the InChIKey of tert-butyl N-[2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)ethyl]-N-(2-oxabicyclo[2.2.2]octan-4-yl)carbamate?
The InChIKey is UYTNDTCHWPRMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O4/c1-15-12-19(30-5)27-21-17(18(25)13-26-20(15)21)8-11-28(22(29)32-23(2,3)4)24-9-6-16(7-10-24)31-14-24/h12-13,16H,6-11,14H2,1-5H3.
What are the key properties of tert-butyl N-[2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)ethyl]-N-(2-oxabicyclo[2.2.2]octan-4-yl)carbamate?
tert-butyl N-[2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)ethyl]-N-(2-oxabicyclo[2.2.2]octan-4-yl)carbamate has a molecular weight of 445.54 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)ethyl]-N-(2-oxabicyclo[2.2.2]octan-4-yl)carbamate is sourced from PubChem (CID 71151167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).