2-[[2,6-bis(4-ethoxy-2-pyridinyl)-4-pyridinyl]-(2-hydroxyethyl)amino]ethanol

C23H28N4O4 — CID 58781431

IUPAC2-[[2,6-bis(4-ethoxy-2-pyridinyl)-4-pyridinyl]-(2-hydroxyethyl)amino]ethanol
SMILESCCOc1ccnc(-c2cc(N(CCO)CCO)cc(-c3cc(OCC)ccn3)n2)c1
InChIInChI=1S/C23H28N4O4/c1-3-30-18-5-7-24-20(15-18)22-13-17(27(9-11-28)10-12-29)14-23(26-22)21-16-19(31-4-2)6-8-25-21/h5-8,13-16,28-29H,3-4,9-12H2,1-2H3
InChIKeyXXJNVQJEOKULKV-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.79
Rot. Bonds11

About 2-[[2,6-bis(4-ethoxy-2-pyridinyl)-4-pyridinyl]-(2-hydroxyethyl)amino]ethanol

2-[[2,6-bis(4-ethoxy-2-pyridinyl)-4-pyridinyl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 58781431) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-[[2,6-bis(4-ethoxy-2-pyridinyl)-4-pyridinyl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2,6-bis(4-ethoxy-2-pyridinyl)-4-pyridinyl]-(2-hydroxyethyl)amino]ethanol
PubChem CID58781431
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name2-[[2,6-bis(4-ethoxy-2-pyridinyl)-4-pyridinyl]-(2-hydroxyethyl)amino]ethanol
SMILESCCOc1ccnc(-c2cc(N(CCO)CCO)cc(-c3cc(OCC)ccn3)n2)c1
InChIInChI=1S/C23H28N4O4/c1-3-30-18-5-7-24-20(15-18)22-13-17(27(9-11-28)10-12-29)14-23(26-22)21-16-19(31-4-2)6-8-25-21/h5-8,13-16,28-29H,3-4,9-12H2,1-2H3
InChIKeyXXJNVQJEOKULKV-UHFFFAOYSA-N
XLogP2.79
TPSA100.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-bis(4-ethoxy-2-pyridinyl)-4-pyridinyl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[2,6-bis(4-ethoxy-2-pyridinyl)-4-pyridinyl]-(2-hydroxyethyl)amino]ethanol (CID 58781431) is 2-[[2,6-bis(4-ethoxy-2-pyridinyl)-4-pyridinyl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[2,6-bis(4-ethoxy-2-pyridinyl)-4-pyridinyl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[2,6-bis(4-ethoxy-2-pyridinyl)-4-pyridinyl]-(2-hydroxyethyl)amino]ethanol is CCOc1ccnc(-c2cc(N(CCO)CCO)cc(-c3cc(OCC)ccn3)n2)c1.
What is the InChIKey of 2-[[2,6-bis(4-ethoxy-2-pyridinyl)-4-pyridinyl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is XXJNVQJEOKULKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-3-30-18-5-7-24-20(15-18)22-13-17(27(9-11-28)10-12-29)14-23(26-22)21-16-19(31-4-2)6-8-25-21/h5-8,13-16,28-29H,3-4,9-12H2,1-2H3.
What are the key properties of 2-[[2,6-bis(4-ethoxy-2-pyridinyl)-4-pyridinyl]-(2-hydroxyethyl)amino]ethanol?
2-[[2,6-bis(4-ethoxy-2-pyridinyl)-4-pyridinyl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 424.50 g/mol, XLogP of 2.79, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-bis(4-ethoxy-2-pyridinyl)-4-pyridinyl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 58781431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).