2-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]ethyl]isoindole-1,3-dione

C30H30N6O2 — CID 154728853

IUPAC2-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCN(CCN(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C30H30N6O2/c37-29-27-12-1-2-13-28(27)30(38)36(29)20-19-34(21-24-9-3-6-14-31-24)17-18-35(22-25-10-4-7-15-32-25)23-26-11-5-8-16-33-26/h1-16H,17-23H2
InChIKeySMVDVICZEOOLOI-UHFFFAOYSA-N
MW506.61 g/mol
LogP3.67
Rot. Bonds12

About 2-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]ethyl]isoindole-1,3-dione

2-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]ethyl]isoindole-1,3-dione (PubChem CID 154728853) has the molecular formula C30H30N6O2 and a molecular weight of 506.61 g/mol. Its IUPAC name is 2-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]ethyl]isoindole-1,3-dione
PubChem CID154728853
Molecular FormulaC30H30N6O2
Molecular Weight506.61 g/mol
Exact Mass506.24
IUPAC Name2-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCN(CCN(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C30H30N6O2/c37-29-27-12-1-2-13-28(27)30(38)36(29)20-19-34(21-24-9-3-6-14-31-24)17-18-35(22-25-10-4-7-15-32-25)23-26-11-5-8-16-33-26/h1-16H,17-23H2
InChIKeySMVDVICZEOOLOI-UHFFFAOYSA-N
XLogP3.67
TPSA82.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.61
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]pyrrole-2,5-dione
CID 86089500
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
N'-[2-[2-aminoethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 141183733
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 87041147
N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;N,N-dimethyl-N',N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 158625319
copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide
CID 58058036
N-prop-2-ynyl-N,N',N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 102448353
N-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 58225638
3-[pyridin-2-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid
CID 82329917
8-[bis(pyridin-2-ylmethyl)amino]octanoic acid
CID 67061848
2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]isoindole-1,3-dione
CID 69293402
2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]isoindole-1,3-dione
CID 166009337

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]ethyl]isoindole-1,3-dione (CID 154728853) is 2-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCN(CCN(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of 2-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]ethyl]isoindole-1,3-dione?
The InChIKey is SMVDVICZEOOLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O2/c37-29-27-12-1-2-13-28(27)30(38)36(29)20-19-34(21-24-9-3-6-14-31-24)17-18-35(22-25-10-4-7-15-32-25)23-26-11-5-8-16-33-26/h1-16H,17-23H2.
What are the key properties of 2-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]ethyl]isoindole-1,3-dione?
2-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]ethyl]isoindole-1,3-dione has a molecular weight of 506.61 g/mol, XLogP of 3.67, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 154728853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).