5,7-ditert-butyl-1H-1,6-naphthyridin-2-one

C16H22N2O — CID 167341824

IUPAC5,7-ditert-butyl-1H-1,6-naphthyridin-2-one
SMILESCC(C)(C)c1cc2[nH]c(=O)ccc2c(C(C)(C)C)n1
InChIInChI=1S/C16H22N2O/c1-15(2,3)12-9-11-10(7-8-13(19)17-11)14(18-12)16(4,5)6/h7-9H,1-6H3,(H,17,19)
InChIKeyLGWLJTDOWNBKGS-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.52
Rot. Bonds

About 5,7-ditert-butyl-1H-1,6-naphthyridin-2-one

5,7-ditert-butyl-1H-1,6-naphthyridin-2-one (PubChem CID 167341824) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 5,7-ditert-butyl-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name5,7-ditert-butyl-1H-1,6-naphthyridin-2-one
PubChem CID167341824
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name5,7-ditert-butyl-1H-1,6-naphthyridin-2-one
SMILESCC(C)(C)c1cc2[nH]c(=O)ccc2c(C(C)(C)C)n1
InChIInChI=1S/C16H22N2O/c1-15(2,3)12-9-11-10(7-8-13(19)17-11)14(18-12)16(4,5)6/h7-9H,1-6H3,(H,17,19)
InChIKeyLGWLJTDOWNBKGS-UHFFFAOYSA-N
XLogP3.52
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-ditert-butyl-1H-1,6-naphthyridin-2-one?
The IUPAC name of 5,7-ditert-butyl-1H-1,6-naphthyridin-2-one (CID 167341824) is 5,7-ditert-butyl-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 5,7-ditert-butyl-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 5,7-ditert-butyl-1H-1,6-naphthyridin-2-one is CC(C)(C)c1cc2[nH]c(=O)ccc2c(C(C)(C)C)n1.
What is the InChIKey of 5,7-ditert-butyl-1H-1,6-naphthyridin-2-one?
The InChIKey is LGWLJTDOWNBKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-15(2,3)12-9-11-10(7-8-13(19)17-11)14(18-12)16(4,5)6/h7-9H,1-6H3,(H,17,19).
What are the key properties of 5,7-ditert-butyl-1H-1,6-naphthyridin-2-one?
5,7-ditert-butyl-1H-1,6-naphthyridin-2-one has a molecular weight of 258.37 g/mol, XLogP of 3.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-ditert-butyl-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 167341824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).