1-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]pyrrole-2,5-dione

C18H18N4O2 — CID 86089500

IUPAC1-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C18H18N4O2/c23-17-7-8-18(24)22(17)12-11-21(13-15-5-1-3-9-19-15)14-16-6-2-4-10-20-16/h1-10H,11-14H2
InChIKeySDXLVBOFRIXJBG-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.40
Rot. Bonds7

About 1-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]pyrrole-2,5-dione

1-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]pyrrole-2,5-dione (PubChem CID 86089500) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]pyrrole-2,5-dione
PubChem CID86089500
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C18H18N4O2/c23-17-7-8-18(24)22(17)12-11-21(13-15-5-1-3-9-19-15)14-16-6-2-4-10-20-16/h1-10H,11-14H2
InChIKeySDXLVBOFRIXJBG-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]ethyl]isoindole-1,3-dione
CID 154728853
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
8-[bis(pyridin-2-ylmethyl)amino]octanoic acid
CID 67061848
N-benzyl-N,N',N'-tris(pyridin-2-ylmethyl)propane-1,3-diamine
CID 101205113
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
N'-[2-[2-aminoethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 141183733
N-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 58225638
1-[6-[bis(quinolin-2-ylmethyl)amino]hexyl]pyrrole-2,5-dione
CID 86049503
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
N-prop-2-ynyl-N,N',N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 102448353
2-[3-[bis(pyridin-2-ylmethyl)amino]propoxy]acetic acid
CID 101459519
N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 102272513

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]pyrrole-2,5-dione (CID 86089500) is 1-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCN(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of 1-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]pyrrole-2,5-dione?
The InChIKey is SDXLVBOFRIXJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-17-7-8-18(24)22(17)12-11-21(13-15-5-1-3-9-19-15)14-16-6-2-4-10-20-16/h1-10H,11-14H2.
What are the key properties of 1-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]pyrrole-2,5-dione?
1-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]pyrrole-2,5-dione has a molecular weight of 322.37 g/mol, XLogP of 1.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 86089500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).