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

C20H22N4O2 — CID 59634569

IUPACtert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1nc2ccncc2cc1-c1ccccn1
InChIInChI=1S/C20H22N4O2/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/h5-13H,1-4H3,(H,23,25)
InChIKeyGQEWBVUYIXFMFR-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.28
Rot. Bonds3

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

tert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate (PubChem CID 59634569) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is tert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate
PubChem CID59634569
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Nametert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1nc2ccncc2cc1-c1ccccn1
InChIInChI=1S/C20H22N4O2/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/h5-13H,1-4H3,(H,23,25)
InChIKeyGQEWBVUYIXFMFR-UHFFFAOYSA-N
XLogP4.28
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.28
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-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate (CID 59634569) is tert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate is 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?
The InChIKey is GQEWBVUYIXFMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/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/h5-13H,1-4H3,(H,23,25).
What are the key properties of tert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate?
tert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate has a molecular weight of 350.42 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 59634569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).