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

C20H28N6O2 — CID 22172751

IUPACtert-butyl N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate
SMILESCCCCc1nc2c(N)nc3cccnc3c2n1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C20H28N6O2/c1-5-6-9-14-25-16-17(15-13(24-18(16)21)8-7-10-22-15)26(14)12-11-23-19(27)28-20(2,3)4/h7-8,10H,5-6,9,11-12H2,1-4H3,(H2,21,24)(H,23,27)
InChIKeyJAXIHJSNTPBIQU-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.43
Rot. Bonds6

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

tert-butyl N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate (PubChem CID 22172751) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is tert-butyl N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate
PubChem CID22172751
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Nametert-butyl N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate
SMILESCCCCc1nc2c(N)nc3cccnc3c2n1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C20H28N6O2/c1-5-6-9-14-25-16-17(15-13(24-18(16)21)8-7-10-22-15)26(14)12-11-23-19(27)28-20(2,3)4/h7-8,10H,5-6,9,11-12H2,1-4H3,(H2,21,24)(H,23,27)
InChIKeyJAXIHJSNTPBIQU-UHFFFAOYSA-N
XLogP3.43
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[2-(2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate
CID 22172746
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
tert-butyl N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]carbamate
CID 166933579
tert-butyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 71472212
tert-butyl N-[(2S)-1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamate
CID 162372989
tert-butyl N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]carbamate
CID 10046489
2-ethyl-1-[4-(methylamino)butyl]imidazo[4,5-c][1,5]naphthyridin-4-amine
CID 155067176
1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea
CID 18616841
N-[4-(4-amino-2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-N-methoxybenzamide
CID 58869112
[N'-[[4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylcarbamoyl]phenyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamic acid
CID 135317746
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate (CID 22172751) is tert-butyl N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate is CCCCc1nc2c(N)nc3cccnc3c2n1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate?
The InChIKey is JAXIHJSNTPBIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-5-6-9-14-25-16-17(15-13(24-18(16)21)8-7-10-22-15)26(14)12-11-23-19(27)28-20(2,3)4/h7-8,10H,5-6,9,11-12H2,1-4H3,(H2,21,24)(H,23,27).
What are the key properties of tert-butyl N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate?
tert-butyl N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate has a molecular weight of 384.48 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate is sourced from PubChem (CID 22172751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).