8-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-1,5-naphthyridine-2,7-dicarbonitrile

C19H19N5O — CID 71152796

IUPAC8-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-1,5-naphthyridine-2,7-dicarbonitrile
SMILESN#Cc1ccc2ncc(C#N)c(CCC34CCC(N)(CC3)CO4)c2n1
InChIInChI=1S/C19H19N5O/c20-9-13-11-23-16-2-1-14(10-21)24-17(16)15(13)3-4-19-7-5-18(22,6-8-19)12-25-19/h1-2,11H,3-8,12,22H2
InChIKeyMBMIFGJADQVYKL-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.35
Rot. Bonds3

About 8-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-1,5-naphthyridine-2,7-dicarbonitrile

8-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-1,5-naphthyridine-2,7-dicarbonitrile (PubChem CID 71152796) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is 8-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-1,5-naphthyridine-2,7-dicarbonitrile.

Molecular Properties

Compound Name8-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-1,5-naphthyridine-2,7-dicarbonitrile
PubChem CID71152796
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name8-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-1,5-naphthyridine-2,7-dicarbonitrile
SMILESN#Cc1ccc2ncc(C#N)c(CCC34CCC(N)(CC3)CO4)c2n1
InChIInChI=1S/C19H19N5O/c20-9-13-11-23-16-2-1-14(10-21)24-17(16)15(13)3-4-19-7-5-18(22,6-8-19)12-25-19/h1-2,11H,3-8,12,22H2
InChIKeyMBMIFGJADQVYKL-UHFFFAOYSA-N
XLogP2.35
TPSA108.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-1,5-naphthyridine-2,7-dicarbonitrile?
The IUPAC name of 8-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-1,5-naphthyridine-2,7-dicarbonitrile (CID 71152796) is 8-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-1,5-naphthyridine-2,7-dicarbonitrile.
What is the SMILES notation for 8-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-1,5-naphthyridine-2,7-dicarbonitrile?
The canonical SMILES for 8-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-1,5-naphthyridine-2,7-dicarbonitrile is N#Cc1ccc2ncc(C#N)c(CCC34CCC(N)(CC3)CO4)c2n1.
What is the InChIKey of 8-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-1,5-naphthyridine-2,7-dicarbonitrile?
The InChIKey is MBMIFGJADQVYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c20-9-13-11-23-16-2-1-14(10-21)24-17(16)15(13)3-4-19-7-5-18(22,6-8-19)12-25-19/h1-2,11H,3-8,12,22H2.
What are the key properties of 8-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-1,5-naphthyridine-2,7-dicarbonitrile?
8-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-1,5-naphthyridine-2,7-dicarbonitrile has a molecular weight of 333.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-1,5-naphthyridine-2,7-dicarbonitrile is sourced from PubChem (CID 71152796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).