tert-butyl N-(2-oxo-3,4-dihydro-1H-1,6-naphthyridin-3-yl)carbamate

C13H17N3O3 — CID 59649653

IUPACtert-butyl N-(2-oxo-3,4-dihydro-1H-1,6-naphthyridin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1Cc2cnccc2NC1=O
InChIInChI=1S/C13H17N3O3/c1-13(2,3)19-12(18)16-10-6-8-7-14-5-4-9(8)15-11(10)17/h4-5,7,10H,6H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyIFRKPSKJZSWLKK-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.47
Rot. Bonds1

About tert-butyl N-(2-oxo-3,4-dihydro-1H-1,6-naphthyridin-3-yl)carbamate

tert-butyl N-(2-oxo-3,4-dihydro-1H-1,6-naphthyridin-3-yl)carbamate (PubChem CID 59649653) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is tert-butyl N-(2-oxo-3,4-dihydro-1H-1,6-naphthyridin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-oxo-3,4-dihydro-1H-1,6-naphthyridin-3-yl)carbamate
PubChem CID59649653
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Nametert-butyl N-(2-oxo-3,4-dihydro-1H-1,6-naphthyridin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1Cc2cnccc2NC1=O
InChIInChI=1S/C13H17N3O3/c1-13(2,3)19-12(18)16-10-6-8-7-14-5-4-9(8)15-11(10)17/h4-5,7,10H,6H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyIFRKPSKJZSWLKK-UHFFFAOYSA-N
XLogP1.47
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-oxo-3,4-dihydro-1H-1,6-naphthyridin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(2-oxo-3,4-dihydro-1H-1,6-naphthyridin-3-yl)carbamate (CID 59649653) is tert-butyl N-(2-oxo-3,4-dihydro-1H-1,6-naphthyridin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-oxo-3,4-dihydro-1H-1,6-naphthyridin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-oxo-3,4-dihydro-1H-1,6-naphthyridin-3-yl)carbamate is CC(C)(C)OC(=O)NC1Cc2cnccc2NC1=O.
What is the InChIKey of tert-butyl N-(2-oxo-3,4-dihydro-1H-1,6-naphthyridin-3-yl)carbamate?
The InChIKey is IFRKPSKJZSWLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-13(2,3)19-12(18)16-10-6-8-7-14-5-4-9(8)15-11(10)17/h4-5,7,10H,6H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of tert-butyl N-(2-oxo-3,4-dihydro-1H-1,6-naphthyridin-3-yl)carbamate?
tert-butyl N-(2-oxo-3,4-dihydro-1H-1,6-naphthyridin-3-yl)carbamate has a molecular weight of 263.30 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-oxo-3,4-dihydro-1H-1,6-naphthyridin-3-yl)carbamate is sourced from PubChem (CID 59649653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).