6-(2-fluoro-4-pyridinyl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine

C17H18FN3O — CID 66955270

IUPAC6-(2-fluoro-4-pyridinyl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine
SMILESFc1cc(-c2cccc(NC3CC34CCOCC4)n2)ccn1
InChIInChI=1S/C17H18FN3O/c18-15-10-12(4-7-19-15)13-2-1-3-16(20-13)21-14-11-17(14)5-8-22-9-6-17/h1-4,7,10,14H,5-6,8-9,11H2,(H,20,21)
InChIKeyXXGAXWLMVMUYQB-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.26
Rot. Bonds3

About 6-(2-fluoro-4-pyridinyl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine

6-(2-fluoro-4-pyridinyl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine (PubChem CID 66955270) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 6-(2-fluoro-4-pyridinyl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-(2-fluoro-4-pyridinyl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine
PubChem CID66955270
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name6-(2-fluoro-4-pyridinyl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine
SMILESFc1cc(-c2cccc(NC3CC34CCOCC4)n2)ccn1
InChIInChI=1S/C17H18FN3O/c18-15-10-12(4-7-19-15)13-2-1-3-16(20-13)21-14-11-17(14)5-8-22-9-6-17/h1-4,7,10,14H,5-6,8-9,11H2,(H,20,21)
InChIKeyXXGAXWLMVMUYQB-UHFFFAOYSA-N
XLogP3.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-(2-fluoro-4-pyridinyl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine 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 6-(2-fluoro-4-pyridinyl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine?
The IUPAC name of 6-(2-fluoro-4-pyridinyl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine (CID 66955270) is 6-(2-fluoro-4-pyridinyl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine.
What is the SMILES notation for 6-(2-fluoro-4-pyridinyl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine?
The canonical SMILES for 6-(2-fluoro-4-pyridinyl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine is Fc1cc(-c2cccc(NC3CC34CCOCC4)n2)ccn1.
What is the InChIKey of 6-(2-fluoro-4-pyridinyl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine?
The InChIKey is XXGAXWLMVMUYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-15-10-12(4-7-19-15)13-2-1-3-16(20-13)21-14-11-17(14)5-8-22-9-6-17/h1-4,7,10,14H,5-6,8-9,11H2,(H,20,21).
What are the key properties of 6-(2-fluoro-4-pyridinyl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine?
6-(2-fluoro-4-pyridinyl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine has a molecular weight of 299.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-pyridinyl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine is sourced from PubChem (CID 66955270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).