2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methanidyl-7,8-dihydro-5H-1,6-naphthyridine

C15H20N3- — CID 20825717

IUPAC2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methanidyl-7,8-dihydro-5H-1,6-naphthyridine
SMILES[CH2-]N1CCc2nc(CN3CC4CC4C3)ccc2C1
InChIInChI=1S/C15H20N3/c1-17-5-4-15-11(7-17)2-3-14(16-15)10-18-8-12-6-13(12)9-18/h2-3,12-13H,1,4-10H2/q-1
InChIKeyOZFFKRJOABRJDY-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.68
Rot. Bonds2

About 2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methanidyl-7,8-dihydro-5H-1,6-naphthyridine

2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methanidyl-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 20825717) has the molecular formula C15H20N3- and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methanidyl-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methanidyl-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID20825717
Molecular FormulaC15H20N3-
Molecular Weight242.35 g/mol
Exact Mass242.17
IUPAC Name2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methanidyl-7,8-dihydro-5H-1,6-naphthyridine
SMILES[CH2-]N1CCc2nc(CN3CC4CC4C3)ccc2C1
InChIInChI=1S/C15H20N3/c1-17-5-4-15-11(7-17)2-3-14(16-15)10-18-8-12-6-13(12)9-18/h2-3,12-13H,1,4-10H2/q-1
InChIKeyOZFFKRJOABRJDY-UHFFFAOYSA-N
XLogP1.68
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methanidyl-7,8-dihydro-5H-1,6-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-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methanidyl-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methanidyl-7,8-dihydro-5H-1,6-naphthyridine (CID 20825717) is 2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methanidyl-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methanidyl-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methanidyl-7,8-dihydro-5H-1,6-naphthyridine is [CH2-]N1CCc2nc(CN3CC4CC4C3)ccc2C1.
What is the InChIKey of 2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methanidyl-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is OZFFKRJOABRJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N3/c1-17-5-4-15-11(7-17)2-3-14(16-15)10-18-8-12-6-13(12)9-18/h2-3,12-13H,1,4-10H2/q-1.
What are the key properties of 2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methanidyl-7,8-dihydro-5H-1,6-naphthyridine?
2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methanidyl-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 242.35 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methanidyl-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 20825717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).