2-(4-methyl-2-pyridinyl)-5-[2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione

C29H18N4O5 — CID 1371923

IUPAC2-(4-methyl-2-pyridinyl)-5-[2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
SMILESCc1ccnc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4cc(C)ccn4)C5=O)cc3C2=O)c1
InChIInChI=1S/C29H18N4O5/c1-15-7-9-30-23(11-15)32-26(35)19-5-3-17(13-21(19)28(32)37)25(34)18-4-6-20-22(14-18)29(38)33(27(20)36)24-12-16(2)8-10-31-24/h3-14H,1-2H3
InChIKeyOYFCPFZORURUPE-UHFFFAOYSA-N
MW502.49 g/mol
LogP3.93
Rot. Bonds4

About 2-(4-methyl-2-pyridinyl)-5-[2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione

2-(4-methyl-2-pyridinyl)-5-[2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione (PubChem CID 1371923) has the molecular formula C29H18N4O5 and a molecular weight of 502.49 g/mol. Its IUPAC name is 2-(4-methyl-2-pyridinyl)-5-[2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-methyl-2-pyridinyl)-5-[2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
PubChem CID1371923
Molecular FormulaC29H18N4O5
Molecular Weight502.49 g/mol
Exact Mass502.13
IUPAC Name2-(4-methyl-2-pyridinyl)-5-[2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
SMILESCc1ccnc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4cc(C)ccn4)C5=O)cc3C2=O)c1
InChIInChI=1S/C29H18N4O5/c1-15-7-9-30-23(11-15)32-26(35)19-5-3-17(13-21(19)28(32)37)25(34)18-4-6-20-22(14-18)29(38)33(27(20)36)24-12-16(2)8-10-31-24/h3-14H,1-2H3
InChIKeyOYFCPFZORURUPE-UHFFFAOYSA-N
XLogP3.93
TPSA117.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.49
LogP ≤ 53.93
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-(4-methyl-2-pyridinyl)-5-[2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The IUPAC name of 2-(4-methyl-2-pyridinyl)-5-[2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione (CID 1371923) is 2-(4-methyl-2-pyridinyl)-5-[2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione.
What is the SMILES notation for 2-(4-methyl-2-pyridinyl)-5-[2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The canonical SMILES for 2-(4-methyl-2-pyridinyl)-5-[2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione is Cc1ccnc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4cc(C)ccn4)C5=O)cc3C2=O)c1.
What is the InChIKey of 2-(4-methyl-2-pyridinyl)-5-[2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The InChIKey is OYFCPFZORURUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18N4O5/c1-15-7-9-30-23(11-15)32-26(35)19-5-3-17(13-21(19)28(32)37)25(34)18-4-6-20-22(14-18)29(38)33(27(20)36)24-12-16(2)8-10-31-24/h3-14H,1-2H3.
What are the key properties of 2-(4-methyl-2-pyridinyl)-5-[2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
2-(4-methyl-2-pyridinyl)-5-[2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione has a molecular weight of 502.49 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-pyridinyl)-5-[2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione is sourced from PubChem (CID 1371923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).