4-amino-5-[2-(cyclohexylamino)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione

C19H20N4O3 — CID 169329157

IUPAC4-amino-5-[2-(cyclohexylamino)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESNc1c2c(cc(=O)n1-c1ccccc1NC1CCCCC1)C(=O)NC2=O
InChIInChI=1S/C19H20N4O3/c20-17-16-12(18(25)22-19(16)26)10-15(24)23(17)14-9-5-4-8-13(14)21-11-6-2-1-3-7-11/h4-5,8-11,21H,1-3,6-7,20H2,(H,22,25,26)
InChIKeyNVYTUYDSFWGZRD-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.05
Rot. Bonds3

About 4-amino-5-[2-(cyclohexylamino)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione

4-amino-5-[2-(cyclohexylamino)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169329157) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-amino-5-[2-(cyclohexylamino)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-[2-(cyclohexylamino)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169329157
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name4-amino-5-[2-(cyclohexylamino)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESNc1c2c(cc(=O)n1-c1ccccc1NC1CCCCC1)C(=O)NC2=O
InChIInChI=1S/C19H20N4O3/c20-17-16-12(18(25)22-19(16)26)10-15(24)23(17)14-9-5-4-8-13(14)21-11-6-2-1-3-7-11/h4-5,8-11,21H,1-3,6-7,20H2,(H,22,25,26)
InChIKeyNVYTUYDSFWGZRD-UHFFFAOYSA-N
XLogP2.05
TPSA106.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-5-[2-(cyclohexylamino)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione 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 4-amino-5-[2-(cyclohexylamino)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-[2-(cyclohexylamino)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169329157) is 4-amino-5-[2-(cyclohexylamino)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-[2-(cyclohexylamino)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-[2-(cyclohexylamino)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is Nc1c2c(cc(=O)n1-c1ccccc1NC1CCCCC1)C(=O)NC2=O.
What is the InChIKey of 4-amino-5-[2-(cyclohexylamino)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is NVYTUYDSFWGZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c20-17-16-12(18(25)22-19(16)26)10-15(24)23(17)14-9-5-4-8-13(14)21-11-6-2-1-3-7-11/h4-5,8-11,21H,1-3,6-7,20H2,(H,22,25,26).
What are the key properties of 4-amino-5-[2-(cyclohexylamino)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-[2-(cyclohexylamino)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 352.39 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2-(cyclohexylamino)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169329157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).