3-[2-(2-aminoethylamino)ethylamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione

C16H19N5O2 — CID 22728646

IUPAC3-[2-(2-aminoethylamino)ethylamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESNCCNCCNC1=C(c2c[nH]c3ccccc23)C(=O)NC1=O
InChIInChI=1S/C16H19N5O2/c17-5-6-18-7-8-19-14-13(15(22)21-16(14)23)11-9-20-12-4-2-1-3-10(11)12/h1-4,9,18,20H,5-8,17H2,(H2,19,21,22,23)
InChIKeyVYZMLGLOWDUEEE-UHFFFAOYSA-N
MW313.36 g/mol
LogP-0.33
Rot. Bonds7

About 3-[2-(2-aminoethylamino)ethylamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione

3-[2-(2-aminoethylamino)ethylamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 22728646) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-[2-(2-aminoethylamino)ethylamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[2-(2-aminoethylamino)ethylamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID22728646
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name3-[2-(2-aminoethylamino)ethylamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESNCCNCCNC1=C(c2c[nH]c3ccccc23)C(=O)NC1=O
InChIInChI=1S/C16H19N5O2/c17-5-6-18-7-8-19-14-13(15(22)21-16(14)23)11-9-20-12-4-2-1-3-10(11)12/h1-4,9,18,20H,5-8,17H2,(H2,19,21,22,23)
InChIKeyVYZMLGLOWDUEEE-UHFFFAOYSA-N
XLogP-0.33
TPSA112.04 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 5-0.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(3-aminopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 16760314
N-(2-aminoethyl)-N'-[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]pentane-1,5-diamine
CID 141107236
N'-[3-[[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]amino]propyl]propane-1,3-diamine
CID 141107243
3-(1H-indol-3-yl)-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione
CID 23650558
N'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine
CID 115195611
3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 5327725
3-[1-(3-aminopropyl)-5-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410266
3-[1-(2-aminoethyl)-5-hydroxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410386
3-[1-(2-aminoethyl)-4-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409286
3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]-7-(trifluoromethyl)indol-3-yl]pyrrole-2,5-dione
CID 22410411
3-[1-[3-(ethylamino)propyl]-4-methylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410114
3-[5-(2-aminoethylamino)pentylimino]-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
CID 91108684

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethylamino)ethylamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[2-(2-aminoethylamino)ethylamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 22728646) is 3-[2-(2-aminoethylamino)ethylamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[2-(2-aminoethylamino)ethylamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[2-(2-aminoethylamino)ethylamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione is NCCNCCNC1=C(c2c[nH]c3ccccc23)C(=O)NC1=O.
What is the InChIKey of 3-[2-(2-aminoethylamino)ethylamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is VYZMLGLOWDUEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c17-5-6-18-7-8-19-14-13(15(22)21-16(14)23)11-9-20-12-4-2-1-3-10(11)12/h1-4,9,18,20H,5-8,17H2,(H2,19,21,22,23).
What are the key properties of 3-[2-(2-aminoethylamino)ethylamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-[2-(2-aminoethylamino)ethylamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 313.36 g/mol, XLogP of -0.33, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethylamino)ethylamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22728646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).