4-amino-6-methyl-7-propylpyrrolo[3,4-c]pyridine-1,3-dione

C11H13N3O2 — CID 686365

IUPAC4-amino-6-methyl-7-propylpyrrolo[3,4-c]pyridine-1,3-dione
SMILESCCCc1c(C)nc(N)c2c1C(=O)NC2=O
InChIInChI=1S/C11H13N3O2/c1-3-4-6-5(2)13-9(12)8-7(6)10(15)14-11(8)16/h3-4H2,1-2H3,(H2,12,13)(H,14,15,16)
InChIKeyVUXXQSVOYBTKAV-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.81
Rot. Bonds2

About 4-amino-6-methyl-7-propylpyrrolo[3,4-c]pyridine-1,3-dione

4-amino-6-methyl-7-propylpyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 686365) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-amino-6-methyl-7-propylpyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name4-amino-6-methyl-7-propylpyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID686365
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name4-amino-6-methyl-7-propylpyrrolo[3,4-c]pyridine-1,3-dione
SMILESCCCc1c(C)nc(N)c2c1C(=O)NC2=O
InChIInChI=1S/C11H13N3O2/c1-3-4-6-5(2)13-9(12)8-7(6)10(15)14-11(8)16/h3-4H2,1-2H3,(H2,12,13)(H,14,15,16)
InChIKeyVUXXQSVOYBTKAV-UHFFFAOYSA-N
XLogP0.81
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4,6-dimethylpyridine-3-carboxamide
CID 252216
4-Amino-7,8-dihydrocyclopenta[b]pyrrolo[3,4-d]pyridine-1,3(2H,6H)-dione
CID 608994
4-Amino-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-c]quinoline-1,3(2H)-dione
CID 612492
1H-Pyrrolo(2,3-d)pyrimidine-2,4(3H,7H)-dione, 1,3,5,6-tetramethyl-
CID 215964
1H-Pyrrolo(2,3-d)pyrimidine-2,4(3H,7H)-dione, 5-butyl-1,3,6-trimethyl-
CID 3041227
N-propyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 53542142
N-ethyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 53613881
5-(4-Fluorophenyl)-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
CID 132606201
6-Tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione
CID 2726359
6-Tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione chloride
CID 45108854
4-Amino-6-methyl-1H-pyrrolo(3,4-c)pyridine-1,3(2H)-dione
CID 600802
4-Amino-6,7-dimethyl-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione
CID 605645

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-7-propylpyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 4-amino-6-methyl-7-propylpyrrolo[3,4-c]pyridine-1,3-dione (CID 686365) is 4-amino-6-methyl-7-propylpyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 4-amino-6-methyl-7-propylpyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 4-amino-6-methyl-7-propylpyrrolo[3,4-c]pyridine-1,3-dione is CCCc1c(C)nc(N)c2c1C(=O)NC2=O.
What is the InChIKey of 4-amino-6-methyl-7-propylpyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is VUXXQSVOYBTKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-4-6-5(2)13-9(12)8-7(6)10(15)14-11(8)16/h3-4H2,1-2H3,(H2,12,13)(H,14,15,16).
What are the key properties of 4-amino-6-methyl-7-propylpyrrolo[3,4-c]pyridine-1,3-dione?
4-amino-6-methyl-7-propylpyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 219.24 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-7-propylpyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 686365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).