tert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate;1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethanamine

C35H36N8O2 — CID 161269157

IUPACtert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate;1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethanamine
SMILESCC(N)c1nc2ccncc2cc1-c1ccccn1.CC(NC(=O)OC(C)(C)C)c1nc2ccncc2cc1-c1ccccn1
InChIInChI=1S/C20H22N4O2.C15H14N4/c1-13(23-19(25)26-20(2,3)4)18-15(17-7-5-6-9-22-17)11-14-12-21-10-8-16(14)24-18;1-10(16)15-12(14-4-2-3-6-18-14)8-11-9-17-7-5-13(11)19-15/h5-13H,1-4H3,(H,23,25);2-10H,16H2,1H3
InChIKeyVDOSRMJGGBCDMG-UHFFFAOYSA-N
MW600.73 g/mol
LogP6.99
Rot. Bonds5

About tert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate;1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethanamine

tert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate;1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethanamine (PubChem CID 161269157) has the molecular formula C35H36N8O2 and a molecular weight of 600.73 g/mol. Its IUPAC name is tert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate;1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethanamine.

Molecular Properties

Compound Nametert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate;1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethanamine
PubChem CID161269157
Molecular FormulaC35H36N8O2
Molecular Weight600.73 g/mol
Exact Mass600.30
IUPAC Nametert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate;1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethanamine
SMILESCC(N)c1nc2ccncc2cc1-c1ccccn1.CC(NC(=O)OC(C)(C)C)c1nc2ccncc2cc1-c1ccccn1
InChIInChI=1S/C20H22N4O2.C15H14N4/c1-13(23-19(25)26-20(2,3)4)18-15(17-7-5-6-9-22-17)11-14-12-21-10-8-16(14)24-18;1-10(16)15-12(14-4-2-3-6-18-14)8-11-9-17-7-5-13(11)19-15/h5-13H,1-4H3,(H,23,25);2-10H,16H2,1H3
InChIKeyVDOSRMJGGBCDMG-UHFFFAOYSA-N
XLogP6.99
TPSA141.69 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.73
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate;1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethanamine with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[1-[6-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate;1-[6-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridin-2-ylquinolin-2-yl]ethanamine
CID 161450425
tert-butyl N-[(1S)-1-[4-(ethylcarbamoyl)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate
CID 59634688
tert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate
CID 140527519
tert-butyl N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate
CID 67595696
tert-butyl N-[(1S)-1-[3-(5-bromo-2-pyridinyl)-2-pyridinyl]ethyl]carbamate
CID 172741939
tert-butyl N-(1-phenanthridin-6-ylethyl)carbamate
CID 141472588
tert-butyl N-[1-[2-(6-pyridin-2-ylpyrimidin-4-yl)-1,2,4-triazol-3-yl]ethyl]carbamate
CID 172562971
1-(5,6-dimethyl-3-pyridin-2-yl-2-pyridinyl)ethanamine
CID 90841311
tert-butyl N-[1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]carbamate
CID 78121467
tert-butyl N-[1-[6-(2-amino-4-pyridinyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate
CID 123956691
tert-butyl N-[1-(1,8-naphthyridin-2-yl)ethyl]carbamate
CID 57185264
tert-butyl N-(1-naphthalen-2-ylethyl)carbamate
CID 70974235

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate;1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethanamine?
The IUPAC name of tert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate;1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethanamine (CID 161269157) is tert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate;1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethanamine.
What is the SMILES notation for tert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate;1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethanamine?
The canonical SMILES for tert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate;1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethanamine is CC(N)c1nc2ccncc2cc1-c1ccccn1.CC(NC(=O)OC(C)(C)C)c1nc2ccncc2cc1-c1ccccn1.
What is the InChIKey of tert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate;1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethanamine?
The InChIKey is VDOSRMJGGBCDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2.C15H14N4/c1-13(23-19(25)26-20(2,3)4)18-15(17-7-5-6-9-22-17)11-14-12-21-10-8-16(14)24-18;1-10(16)15-12(14-4-2-3-6-18-14)8-11-9-17-7-5-13(11)19-15/h5-13H,1-4H3,(H,23,25);2-10H,16H2,1H3.
What are the key properties of tert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate;1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethanamine?
tert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate;1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethanamine has a molecular weight of 600.73 g/mol, XLogP of 6.99, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate;1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethanamine is sourced from PubChem (CID 161269157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).