2-(6-methyl-2-pyridinyl)-5-[2-(6-methyl-2-pyridinyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione

C28H18N4O5 — CID 1104109

IUPAC2-(6-methyl-2-pyridinyl)-5-[2-(6-methyl-2-pyridinyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
SMILESCc1cccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(c4cccc(C)n4)C5=O)cc3C2=O)n1
InChIInChI=1S/C28H18N4O5/c1-15-5-3-7-23(29-15)31-25(33)19-11-9-17(13-21(19)27(31)35)37-18-10-12-20-22(14-18)28(36)32(26(20)34)24-8-4-6-16(2)30-24/h3-14H,1-2H3
InChIKeyYKFDYQYHVUZDME-UHFFFAOYSA-N
MW490.48 g/mol
LogP4.49
Rot. Bonds4

About 2-(6-methyl-2-pyridinyl)-5-[2-(6-methyl-2-pyridinyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione

2-(6-methyl-2-pyridinyl)-5-[2-(6-methyl-2-pyridinyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione (PubChem CID 1104109) has the molecular formula C28H18N4O5 and a molecular weight of 490.48 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-5-[2-(6-methyl-2-pyridinyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-5-[2-(6-methyl-2-pyridinyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
PubChem CID1104109
Molecular FormulaC28H18N4O5
Molecular Weight490.48 g/mol
Exact Mass490.13
IUPAC Name2-(6-methyl-2-pyridinyl)-5-[2-(6-methyl-2-pyridinyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
SMILESCc1cccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(c4cccc(C)n4)C5=O)cc3C2=O)n1
InChIInChI=1S/C28H18N4O5/c1-15-5-3-7-23(29-15)31-25(33)19-11-9-17(13-21(19)27(31)35)37-18-10-12-20-22(14-18)28(36)32(26(20)34)24-8-4-6-16(2)30-24/h3-14H,1-2H3
InChIKeyYKFDYQYHVUZDME-UHFFFAOYSA-N
XLogP4.49
TPSA109.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.48
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-5-[2-(6-methyl-2-pyridinyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-5-[2-(6-methyl-2-pyridinyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione (CID 1104109) is 2-(6-methyl-2-pyridinyl)-5-[2-(6-methyl-2-pyridinyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-5-[2-(6-methyl-2-pyridinyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-5-[2-(6-methyl-2-pyridinyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione is Cc1cccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(c4cccc(C)n4)C5=O)cc3C2=O)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-5-[2-(6-methyl-2-pyridinyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The InChIKey is YKFDYQYHVUZDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4O5/c1-15-5-3-7-23(29-15)31-25(33)19-11-9-17(13-21(19)27(31)35)37-18-10-12-20-22(14-18)28(36)32(26(20)34)24-8-4-6-16(2)30-24/h3-14H,1-2H3.
What are the key properties of 2-(6-methyl-2-pyridinyl)-5-[2-(6-methyl-2-pyridinyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
2-(6-methyl-2-pyridinyl)-5-[2-(6-methyl-2-pyridinyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione has a molecular weight of 490.48 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-5-[2-(6-methyl-2-pyridinyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione is sourced from PubChem (CID 1104109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).