tert-butyl N-[2-(2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate

C20H27N5O2 — CID 22172746

IUPACtert-butyl N-[2-(2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate
SMILESCCCCc1nc2cnc3cccnc3c2n1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C20H27N5O2/c1-5-6-9-16-24-15-13-23-14-8-7-10-21-17(14)18(15)25(16)12-11-22-19(26)27-20(2,3)4/h7-8,10,13H,5-6,9,11-12H2,1-4H3,(H,22,26)
InChIKeyVDVGTASSHOLSKP-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.85
Rot. Bonds6

About tert-butyl N-[2-(2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate

tert-butyl N-[2-(2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate (PubChem CID 22172746) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is tert-butyl N-[2-(2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate
PubChem CID22172746
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Nametert-butyl N-[2-(2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate
SMILESCCCCc1nc2cnc3cccnc3c2n1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C20H27N5O2/c1-5-6-9-16-24-15-13-23-14-8-7-10-21-17(14)18(15)25(16)12-11-22-19(26)27-20(2,3)4/h7-8,10,13H,5-6,9,11-12H2,1-4H3,(H,22,26)
InChIKeyVDVGTASSHOLSKP-UHFFFAOYSA-N
XLogP3.85
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate
CID 22172751
tert-butyl N-[4-[2-[(1,3-dioxoisoindol-2-yl)methyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]butyl]carbamate
CID 69317001
2-butyl-1-(4-chlorobutyl)imidazo[4,5-c][1,5]naphthyridine
CID 174513407
tert-butyl N-[2-[2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]carbamate
CID 69417224
tert-butyl N-(2-butylimidazo[4,5-c]quinolin-1-yl)carbamate
CID 21075818
tert-butyl N-[4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate
CID 86593760
tert-butyl N-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
CID 86668284
tert-butyl N-[4-(7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate
CID 154675670
tert-butyl N-[5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pent-4-ynyl]carbamate
CID 160837205
1-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-3-butylurea
CID 10001667
N-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]acetamide
CID 20628617
(E)-N-methoxy-4-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butan-1-imine
CID 87867627

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate (CID 22172746) is tert-butyl N-[2-(2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate is CCCCc1nc2cnc3cccnc3c2n1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate?
The InChIKey is VDVGTASSHOLSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-5-6-9-16-24-15-13-23-14-8-7-10-21-17(14)18(15)25(16)12-11-22-19(26)27-20(2,3)4/h7-8,10,13H,5-6,9,11-12H2,1-4H3,(H,22,26).
What are the key properties of tert-butyl N-[2-(2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate?
tert-butyl N-[2-(2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate has a molecular weight of 369.47 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate is sourced from PubChem (CID 22172746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).