4-prop-2-ynoxy-2,6-dipyridin-2-ylpyridine

C18H13N3O — CID 12977485

IUPAC4-prop-2-ynoxy-2,6-dipyridin-2-ylpyridine
SMILESC#CCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C18H13N3O/c1-2-11-22-14-12-17(15-7-3-5-9-19-15)21-18(13-14)16-8-4-6-10-20-16/h1,3-10,12-13H,11H2
InChIKeyPCPYECMPPPYDAO-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.22
Rot. Bonds4

About 4-prop-2-ynoxy-2,6-dipyridin-2-ylpyridine

4-prop-2-ynoxy-2,6-dipyridin-2-ylpyridine (PubChem CID 12977485) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-prop-2-ynoxy-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-prop-2-ynoxy-2,6-dipyridin-2-ylpyridine
PubChem CID12977485
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name4-prop-2-ynoxy-2,6-dipyridin-2-ylpyridine
SMILESC#CCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C18H13N3O/c1-2-11-22-14-12-17(15-7-3-5-9-19-15)21-18(13-14)16-8-4-6-10-20-16/h1,3-10,12-13H,11H2
InChIKeyPCPYECMPPPYDAO-UHFFFAOYSA-N
XLogP3.22
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-prop-2-ynoxy-2,6-dipyridin-2-ylpyridine 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 4-prop-2-ynoxy-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-prop-2-ynoxy-2,6-dipyridin-2-ylpyridine (CID 12977485) is 4-prop-2-ynoxy-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-prop-2-ynoxy-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-prop-2-ynoxy-2,6-dipyridin-2-ylpyridine is C#CCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1.
What is the InChIKey of 4-prop-2-ynoxy-2,6-dipyridin-2-ylpyridine?
The InChIKey is PCPYECMPPPYDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c1-2-11-22-14-12-17(15-7-3-5-9-19-15)21-18(13-14)16-8-4-6-10-20-16/h1,3-10,12-13H,11H2.
What are the key properties of 4-prop-2-ynoxy-2,6-dipyridin-2-ylpyridine?
4-prop-2-ynoxy-2,6-dipyridin-2-ylpyridine has a molecular weight of 287.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-ynoxy-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 12977485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).