2-[2-(azetidin-3-yl)ethenyl]-1,8-naphthyridine

C13H13N3 — CID 139450821

IUPAC2-[2-(azetidin-3-yl)ethenyl]-1,8-naphthyridine
SMILESC(=CC1CNC1)c1ccc2cccnc2n1
InChIInChI=1S/C13H13N3/c1-2-11-4-6-12(16-13(11)15-7-1)5-3-10-8-14-9-10/h1-7,10,14H,8-9H2
InChIKeyXLDVDJXFEGFZQN-UHFFFAOYSA-N
MW211.27 g/mol
LogP1.86
Rot. Bonds2

About 2-[2-(azetidin-3-yl)ethenyl]-1,8-naphthyridine

2-[2-(azetidin-3-yl)ethenyl]-1,8-naphthyridine (PubChem CID 139450821) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-[2-(azetidin-3-yl)ethenyl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-[2-(azetidin-3-yl)ethenyl]-1,8-naphthyridine
PubChem CID139450821
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name2-[2-(azetidin-3-yl)ethenyl]-1,8-naphthyridine
SMILESC(=CC1CNC1)c1ccc2cccnc2n1
InChIInChI=1S/C13H13N3/c1-2-11-4-6-12(16-13(11)15-7-1)5-3-10-8-14-9-10/h1-7,10,14H,8-9H2
InChIKeyXLDVDJXFEGFZQN-UHFFFAOYSA-N
XLogP1.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(azetidin-3-yl)ethenyl]-1,8-naphthyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azetidin-3-yl)ethenyl]-1,8-naphthyridine?
The IUPAC name of 2-[2-(azetidin-3-yl)ethenyl]-1,8-naphthyridine (CID 139450821) is 2-[2-(azetidin-3-yl)ethenyl]-1,8-naphthyridine.
What is the SMILES notation for 2-[2-(azetidin-3-yl)ethenyl]-1,8-naphthyridine?
The canonical SMILES for 2-[2-(azetidin-3-yl)ethenyl]-1,8-naphthyridine is C(=CC1CNC1)c1ccc2cccnc2n1.
What is the InChIKey of 2-[2-(azetidin-3-yl)ethenyl]-1,8-naphthyridine?
The InChIKey is XLDVDJXFEGFZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-2-11-4-6-12(16-13(11)15-7-1)5-3-10-8-14-9-10/h1-7,10,14H,8-9H2.
What are the key properties of 2-[2-(azetidin-3-yl)ethenyl]-1,8-naphthyridine?
2-[2-(azetidin-3-yl)ethenyl]-1,8-naphthyridine has a molecular weight of 211.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azetidin-3-yl)ethenyl]-1,8-naphthyridine is sourced from PubChem (CID 139450821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).