2,6-bis(4-ethoxy-2-pyridinyl)-4-pyrrolidin-1-ylpyridine

C23H26N4O2 — CID 58781419

IUPAC2,6-bis(4-ethoxy-2-pyridinyl)-4-pyrrolidin-1-ylpyridine
SMILESCCOc1ccnc(-c2cc(N3CCCC3)cc(-c3cc(OCC)ccn3)n2)c1
InChIInChI=1S/C23H26N4O2/c1-3-28-18-7-9-24-20(15-18)22-13-17(27-11-5-6-12-27)14-23(26-22)21-16-19(29-4-2)8-10-25-21/h7-10,13-16H,3-6,11-12H2,1-2H3
InChIKeyYOKBEHVKQBCSMK-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.60
Rot. Bonds7

About 2,6-bis(4-ethoxy-2-pyridinyl)-4-pyrrolidin-1-ylpyridine

2,6-bis(4-ethoxy-2-pyridinyl)-4-pyrrolidin-1-ylpyridine (PubChem CID 58781419) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2,6-bis(4-ethoxy-2-pyridinyl)-4-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name2,6-bis(4-ethoxy-2-pyridinyl)-4-pyrrolidin-1-ylpyridine
PubChem CID58781419
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2,6-bis(4-ethoxy-2-pyridinyl)-4-pyrrolidin-1-ylpyridine
SMILESCCOc1ccnc(-c2cc(N3CCCC3)cc(-c3cc(OCC)ccn3)n2)c1
InChIInChI=1S/C23H26N4O2/c1-3-28-18-7-9-24-20(15-18)22-13-17(27-11-5-6-12-27)14-23(26-22)21-16-19(29-4-2)8-10-25-21/h7-10,13-16H,3-6,11-12H2,1-2H3
InChIKeyYOKBEHVKQBCSMK-UHFFFAOYSA-N
XLogP4.60
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,6-bis(4-ethoxy-2-pyridinyl)-4-pyrrolidin-1-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 2,6-bis(4-ethoxy-2-pyridinyl)-4-pyrrolidin-1-ylpyridine?
The IUPAC name of 2,6-bis(4-ethoxy-2-pyridinyl)-4-pyrrolidin-1-ylpyridine (CID 58781419) is 2,6-bis(4-ethoxy-2-pyridinyl)-4-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 2,6-bis(4-ethoxy-2-pyridinyl)-4-pyrrolidin-1-ylpyridine?
The canonical SMILES for 2,6-bis(4-ethoxy-2-pyridinyl)-4-pyrrolidin-1-ylpyridine is CCOc1ccnc(-c2cc(N3CCCC3)cc(-c3cc(OCC)ccn3)n2)c1.
What is the InChIKey of 2,6-bis(4-ethoxy-2-pyridinyl)-4-pyrrolidin-1-ylpyridine?
The InChIKey is YOKBEHVKQBCSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-3-28-18-7-9-24-20(15-18)22-13-17(27-11-5-6-12-27)14-23(26-22)21-16-19(29-4-2)8-10-25-21/h7-10,13-16H,3-6,11-12H2,1-2H3.
What are the key properties of 2,6-bis(4-ethoxy-2-pyridinyl)-4-pyrrolidin-1-ylpyridine?
2,6-bis(4-ethoxy-2-pyridinyl)-4-pyrrolidin-1-ylpyridine has a molecular weight of 390.49 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-ethoxy-2-pyridinyl)-4-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 58781419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).