(2,5-dioxopyrrolidin-1-yl) 4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]butanoate

C23H20N4O5 — CID 101405161

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]butanoate
SMILESO=C(CCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1)ON1C(=O)CCC1=O
InChIInChI=1S/C23H20N4O5/c28-21-9-10-22(29)27(21)32-23(30)8-5-13-31-16-14-19(17-6-1-3-11-24-17)26-20(15-16)18-7-2-4-12-25-18/h1-4,6-7,11-12,14-15H,5,8-10,13H2
InChIKeyAZPMDAPSHDPXIA-UHFFFAOYSA-N
MW432.44 g/mol
LogP2.97
Rot. Bonds8

About (2,5-dioxopyrrolidin-1-yl) 4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]butanoate

(2,5-dioxopyrrolidin-1-yl) 4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]butanoate (PubChem CID 101405161) has the molecular formula C23H20N4O5 and a molecular weight of 432.44 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]butanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]butanoate
PubChem CID101405161
Molecular FormulaC23H20N4O5
Molecular Weight432.44 g/mol
Exact Mass432.14
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]butanoate
SMILESO=C(CCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1)ON1C(=O)CCC1=O
InChIInChI=1S/C23H20N4O5/c28-21-9-10-22(29)27(21)32-23(30)8-5-13-31-16-14-19(17-6-1-3-11-24-17)26-20(15-16)18-7-2-4-12-25-18/h1-4,6-7,11-12,14-15H,5,8-10,13H2
InChIKeyAZPMDAPSHDPXIA-UHFFFAOYSA-N
XLogP2.97
TPSA111.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]butanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]butanoate (CID 101405161) is (2,5-dioxopyrrolidin-1-yl) 4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]butanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]butanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]butanoate is O=C(CCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]butanoate?
The InChIKey is AZPMDAPSHDPXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5/c28-21-9-10-22(29)27(21)32-23(30)8-5-13-31-16-14-19(17-6-1-3-11-24-17)26-20(15-16)18-7-2-4-12-25-18/h1-4,6-7,11-12,14-15H,5,8-10,13H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]butanoate?
(2,5-dioxopyrrolidin-1-yl) 4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]butanoate has a molecular weight of 432.44 g/mol, XLogP of 2.97, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]butanoate is sourced from PubChem (CID 101405161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).