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

C19H20N4O3 — CID 169329456

IUPAC4-amino-5-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCC1CCN(c2ccc(-n3c(N)c4c(cc3=O)C(=O)NC4=O)cc2)CC1
InChIInChI=1S/C19H20N4O3/c1-11-6-8-22(9-7-11)12-2-4-13(5-3-12)23-15(24)10-14-16(17(23)20)19(26)21-18(14)25/h2-5,10-11H,6-9,20H2,1H3,(H,21,25,26)
InChIKeyGJCNKWMAFFJSSO-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.54
Rot. Bonds2

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

4-amino-5-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169329456) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-amino-5-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169329456
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name4-amino-5-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCC1CCN(c2ccc(-n3c(N)c4c(cc3=O)C(=O)NC4=O)cc2)CC1
InChIInChI=1S/C19H20N4O3/c1-11-6-8-22(9-7-11)12-2-4-13(5-3-12)23-15(24)10-14-16(17(23)20)19(26)21-18(14)25/h2-5,10-11H,6-9,20H2,1H3,(H,21,25,26)
InChIKeyGJCNKWMAFFJSSO-UHFFFAOYSA-N
XLogP1.54
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169329456) is 4-amino-5-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is CC1CCN(c2ccc(-n3c(N)c4c(cc3=O)C(=O)NC4=O)cc2)CC1.
What is the InChIKey of 4-amino-5-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is GJCNKWMAFFJSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-11-6-8-22(9-7-11)12-2-4-13(5-3-12)23-15(24)10-14-16(17(23)20)19(26)21-18(14)25/h2-5,10-11H,6-9,20H2,1H3,(H,21,25,26).
What are the key properties of 4-amino-5-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 352.39 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169329456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).