2-[3-[benzyl(methyl)amino]propyl]pyrrolo[3,4-c]pyridine-1,3-dione

C18H19N3O2 — CID 44818783

IUPAC2-[3-[benzyl(methyl)amino]propyl]pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCN(CCCN1C(=O)c2ccncc2C1=O)Cc1ccccc1
InChIInChI=1S/C18H19N3O2/c1-20(13-14-6-3-2-4-7-14)10-5-11-21-17(22)15-8-9-19-12-16(15)18(21)23/h2-4,6-9,12H,5,10-11,13H2,1H3
InChIKeyVWKCKVODXMWLIC-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.20
Rot. Bonds6

About 2-[3-[benzyl(methyl)amino]propyl]pyrrolo[3,4-c]pyridine-1,3-dione

2-[3-[benzyl(methyl)amino]propyl]pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 44818783) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[3-[benzyl(methyl)amino]propyl]pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-[3-[benzyl(methyl)amino]propyl]pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID44818783
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-[3-[benzyl(methyl)amino]propyl]pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCN(CCCN1C(=O)c2ccncc2C1=O)Cc1ccccc1
InChIInChI=1S/C18H19N3O2/c1-20(13-14-6-3-2-4-7-14)10-5-11-21-17(22)15-8-9-19-12-16(15)18(21)23/h2-4,6-9,12H,5,10-11,13H2,1H3
InChIKeyVWKCKVODXMWLIC-UHFFFAOYSA-N
XLogP2.20
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
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 2-[3-[benzyl(methyl)amino]propyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-[3-[benzyl(methyl)amino]propyl]pyrrolo[3,4-c]pyridine-1,3-dione (CID 44818783) is 2-[3-[benzyl(methyl)amino]propyl]pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-[3-[benzyl(methyl)amino]propyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-[3-[benzyl(methyl)amino]propyl]pyrrolo[3,4-c]pyridine-1,3-dione is CN(CCCN1C(=O)c2ccncc2C1=O)Cc1ccccc1.
What is the InChIKey of 2-[3-[benzyl(methyl)amino]propyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is VWKCKVODXMWLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-20(13-14-6-3-2-4-7-14)10-5-11-21-17(22)15-8-9-19-12-16(15)18(21)23/h2-4,6-9,12H,5,10-11,13H2,1H3.
What are the key properties of 2-[3-[benzyl(methyl)amino]propyl]pyrrolo[3,4-c]pyridine-1,3-dione?
2-[3-[benzyl(methyl)amino]propyl]pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 309.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[benzyl(methyl)amino]propyl]pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 44818783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).