2-(1-amino-2,4-dimethylpentan-2-yl)pyrrolo[3,4-c]pyridine-1,3-dione

C14H19N3O2 — CID 115310335

IUPAC2-(1-amino-2,4-dimethylpentan-2-yl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCC(C)CC(C)(CN)N1C(=O)c2ccncc2C1=O
InChIInChI=1S/C14H19N3O2/c1-9(2)6-14(3,8-15)17-12(18)10-4-5-16-7-11(10)13(17)19/h4-5,7,9H,6,8,15H2,1-3H3
InChIKeyCQSWQTDLRBCJBX-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.44
Rot. Bonds4

About 2-(1-amino-2,4-dimethylpentan-2-yl)pyrrolo[3,4-c]pyridine-1,3-dione

2-(1-amino-2,4-dimethylpentan-2-yl)pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 115310335) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(1-amino-2,4-dimethylpentan-2-yl)pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-(1-amino-2,4-dimethylpentan-2-yl)pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID115310335
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(1-amino-2,4-dimethylpentan-2-yl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCC(C)CC(C)(CN)N1C(=O)c2ccncc2C1=O
InChIInChI=1S/C14H19N3O2/c1-9(2)6-14(3,8-15)17-12(18)10-4-5-16-7-11(10)13(17)19/h4-5,7,9H,6,8,15H2,1-3H3
InChIKeyCQSWQTDLRBCJBX-UHFFFAOYSA-N
XLogP1.44
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-amino-2,4-dimethylpentan-2-yl)pyrrolo[3,4-c]pyridine-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2,4-dimethylpentan-2-yl)pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-(1-amino-2,4-dimethylpentan-2-yl)pyrrolo[3,4-c]pyridine-1,3-dione (CID 115310335) is 2-(1-amino-2,4-dimethylpentan-2-yl)pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-(1-amino-2,4-dimethylpentan-2-yl)pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-(1-amino-2,4-dimethylpentan-2-yl)pyrrolo[3,4-c]pyridine-1,3-dione is CC(C)CC(C)(CN)N1C(=O)c2ccncc2C1=O.
What is the InChIKey of 2-(1-amino-2,4-dimethylpentan-2-yl)pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is CQSWQTDLRBCJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(2)6-14(3,8-15)17-12(18)10-4-5-16-7-11(10)13(17)19/h4-5,7,9H,6,8,15H2,1-3H3.
What are the key properties of 2-(1-amino-2,4-dimethylpentan-2-yl)pyrrolo[3,4-c]pyridine-1,3-dione?
2-(1-amino-2,4-dimethylpentan-2-yl)pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 261.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2,4-dimethylpentan-2-yl)pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 115310335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).