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

C26H24N4O2 — CID 10002471

IUPAC3-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione
SMILESCN(C)CCCn1cc(C2=C(c3cccc4ccccc34)C(=O)NC2=O)c2cccnc21
InChIInChI=1S/C26H24N4O2/c1-29(2)14-7-15-30-16-21(20-12-6-13-27-24(20)30)23-22(25(31)28-26(23)32)19-11-5-9-17-8-3-4-10-18(17)19/h3-6,8-13,16H,7,14-15H2,1-2H3,(H,28,31,32)
InChIKeyWLEWZWNDSXTRLZ-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.71
Rot. Bonds6

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

3-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione (PubChem CID 10002471) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione
PubChem CID10002471
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name3-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione
SMILESCN(C)CCCn1cc(C2=C(c3cccc4ccccc34)C(=O)NC2=O)c2cccnc21
InChIInChI=1S/C26H24N4O2/c1-29(2)14-7-15-30-16-21(20-12-6-13-27-24(20)30)23-22(25(31)28-26(23)32)19-11-5-9-17-8-3-4-10-18(17)19/h3-6,8-13,16H,7,14-15H2,1-2H3,(H,28,31,32)
InChIKeyWLEWZWNDSXTRLZ-UHFFFAOYSA-N
XLogP3.71
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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]pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione (CID 10002471) is 3-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione is CN(C)CCCn1cc(C2=C(c3cccc4ccccc34)C(=O)NC2=O)c2cccnc21.
What is the InChIKey of 3-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione?
The InChIKey is WLEWZWNDSXTRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-29(2)14-7-15-30-16-21(20-12-6-13-27-24(20)30)23-22(25(31)28-26(23)32)19-11-5-9-17-8-3-4-10-18(17)19/h3-6,8-13,16H,7,14-15H2,1-2H3,(H,28,31,32).
What are the key properties of 3-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione?
3-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione has a molecular weight of 424.50 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 10002471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).