4-(diethylamino)-6,7-dimethylpyrrolo[3,4-c]pyridine-1,3-dione

C13H17N3O2 — CID 612802

IUPAC4-(diethylamino)-6,7-dimethylpyrrolo[3,4-c]pyridine-1,3-dione
SMILESCCN(CC)c1nc(C)c(C)c2c1C(=O)NC2=O
InChIInChI=1S/C13H17N3O2/c1-5-16(6-2)11-10-9(7(3)8(4)14-11)12(17)15-13(10)18/h5-6H2,1-4H3,(H,15,17,18)
InChIKeyADAPIRYWQOXQML-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.43
Rot. Bonds3

About 4-(diethylamino)-6,7-dimethylpyrrolo[3,4-c]pyridine-1,3-dione

4-(diethylamino)-6,7-dimethylpyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 612802) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(diethylamino)-6,7-dimethylpyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name4-(diethylamino)-6,7-dimethylpyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID612802
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-(diethylamino)-6,7-dimethylpyrrolo[3,4-c]pyridine-1,3-dione
SMILESCCN(CC)c1nc(C)c(C)c2c1C(=O)NC2=O
InChIInChI=1S/C13H17N3O2/c1-5-16(6-2)11-10-9(7(3)8(4)14-11)12(17)15-13(10)18/h5-6H2,1-4H3,(H,15,17,18)
InChIKeyADAPIRYWQOXQML-UHFFFAOYSA-N
XLogP1.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-hexan-2-yl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
CID 3436932
4-Amino-7,8-dihydrocyclopenta[b]pyrrolo[3,4-d]pyridine-1,3(2H,6H)-dione
CID 608994
4,6-dimethyl-1-(pentan-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-ol
CID 757651
4,6-Dimethyl-1-(pentan-2-yl)-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 2947675
1-Isopropyl-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-ol
CID 652826
1-heptan-4-yl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
CID 945786
1-sec-Butyl-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-ol
CID 647433
1-(heptan-2-yl)-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-ol
CID 2969940
4-Amino-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-c]quinoline-1,3(2H)-dione
CID 612492
7-cyclopentyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135756445
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

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-6,7-dimethylpyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 4-(diethylamino)-6,7-dimethylpyrrolo[3,4-c]pyridine-1,3-dione (CID 612802) is 4-(diethylamino)-6,7-dimethylpyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 4-(diethylamino)-6,7-dimethylpyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 4-(diethylamino)-6,7-dimethylpyrrolo[3,4-c]pyridine-1,3-dione is CCN(CC)c1nc(C)c(C)c2c1C(=O)NC2=O.
What is the InChIKey of 4-(diethylamino)-6,7-dimethylpyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is ADAPIRYWQOXQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-5-16(6-2)11-10-9(7(3)8(4)14-11)12(17)15-13(10)18/h5-6H2,1-4H3,(H,15,17,18).
What are the key properties of 4-(diethylamino)-6,7-dimethylpyrrolo[3,4-c]pyridine-1,3-dione?
4-(diethylamino)-6,7-dimethylpyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 247.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-6,7-dimethylpyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 612802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).