5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide

C17H15N5O5 — CID 169327751

IUPAC5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC)cc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)c1
InChIInChI=1S/C17H15N5O5/c1-19-14(24)7-3-8(15(25)20-2)5-9(4-7)22-11(23)6-10-12(13(22)18)17(27)21-16(10)26/h3-6H,18H2,1-2H3,(H,19,24)(H,20,25)(H,21,26,27)
InChIKeyMOJFQSLKPLVOAM-UHFFFAOYSA-N
MW369.34 g/mol
LogP-0.98
Rot. Bonds3

About 5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide

5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide (PubChem CID 169327751) has the molecular formula C17H15N5O5 and a molecular weight of 369.34 g/mol. Its IUPAC name is 5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
PubChem CID169327751
Molecular FormulaC17H15N5O5
Molecular Weight369.34 g/mol
Exact Mass369.11
IUPAC Name5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC)cc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)c1
InChIInChI=1S/C17H15N5O5/c1-19-14(24)7-3-8(15(25)20-2)5-9(4-7)22-11(23)6-10-12(13(22)18)17(27)21-16(10)26/h3-6H,18H2,1-2H3,(H,19,24)(H,20,25)(H,21,26,27)
InChIKeyMOJFQSLKPLVOAM-UHFFFAOYSA-N
XLogP-0.98
TPSA152.39 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide 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 5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The IUPAC name of 5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide (CID 169327751) is 5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The canonical SMILES for 5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide is CNC(=O)c1cc(C(=O)NC)cc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)c1.
What is the InChIKey of 5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The InChIKey is MOJFQSLKPLVOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O5/c1-19-14(24)7-3-8(15(25)20-2)5-9(4-7)22-11(23)6-10-12(13(22)18)17(27)21-16(10)26/h3-6H,18H2,1-2H3,(H,19,24)(H,20,25)(H,21,26,27).
What are the key properties of 5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide has a molecular weight of 369.34 g/mol, XLogP of -0.98, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 169327751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).