3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione

C27H25N3O2 — CID 21113469

IUPAC3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione
SMILESCN(C)CCCn1cc(C2=C(c3cccc4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C27H25N3O2/c1-29(2)15-8-16-30-17-22(20-12-5-6-14-23(20)30)25-24(26(31)28-27(25)32)21-13-7-10-18-9-3-4-11-19(18)21/h3-7,9-14,17H,8,15-16H2,1-2H3,(H,28,31,32)
InChIKeyOCPILGAGUGFNJE-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.31
Rot. Bonds6

About 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione

3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione (PubChem CID 21113469) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione
PubChem CID21113469
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione
SMILESCN(C)CCCn1cc(C2=C(c3cccc4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C27H25N3O2/c1-29(2)15-8-16-30-17-22(20-12-5-6-14-23(20)30)25-24(26(31)28-27(25)32)21-13-7-10-18-9-3-4-11-19(18)21/h3-7,9-14,17H,8,15-16H2,1-2H3,(H,28,31,32)
InChIKeyOCPILGAGUGFNJE-UHFFFAOYSA-N
XLogP4.31
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione (CID 21113469) is 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione is CN(C)CCCn1cc(C2=C(c3cccc4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione?
The InChIKey is OCPILGAGUGFNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-29(2)15-8-16-30-17-22(20-12-5-6-14-23(20)30)25-24(26(31)28-27(25)32)21-13-7-10-18-9-3-4-11-19(18)21/h3-7,9-14,17H,8,15-16H2,1-2H3,(H,28,31,32).
What are the key properties of 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione?
3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione has a molecular weight of 423.52 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 21113469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).