6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione chloride

C13H17ClN3O2- — CID 45108854

IUPAC6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione chloride
SMILESCN(C)c1nc(C(C)(C)C)cc2c1C(=O)NC2=O.[Cl-]
InChIInChI=1S/C13H17N3O2.ClH/c1-13(2,3)8-6-7-9(10(14-8)16(4)5)12(18)15-11(7)17;/h6H,1-5H3,(H,15,17,18);1H/p-1
InChIKeyMTNJXUXVNVRXKL-UHFFFAOYSA-M
MW282.75 g/mol
LogP-1.67
Rot. Bonds1

About 6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione chloride

6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione chloride (PubChem CID 45108854) has the molecular formula C13H17ClN3O2- and a molecular weight of 282.75 g/mol. Its IUPAC name is 6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione chloride.

Molecular Properties

Compound Name6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione chloride
PubChem CID45108854
Molecular FormulaC13H17ClN3O2-
Molecular Weight282.75 g/mol
Exact Mass282.10
IUPAC Name6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione chloride
SMILESCN(C)c1nc(C(C)(C)C)cc2c1C(=O)NC2=O.[Cl-]
InChIInChI=1S/C13H17N3O2.ClH/c1-13(2,3)8-6-7-9(10(14-8)16(4)5)12(18)15-11(7)17;/h6H,1-5H3,(H,15,17,18);1H/p-1
InChIKeyMTNJXUXVNVRXKL-UHFFFAOYSA-M
XLogP-1.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 5-1.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4,6-trimethyl-1H,2H,3H-pyrazolo(3,4-b)pyridin-3-one
CID 2728743
4-Amino-7,8-dihydrocyclopenta[b]pyrrolo[3,4-d]pyridine-1,3(2H,6H)-dione
CID 608994
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-(6-methyl-pyridin-2-yl)-propionamide
CID 654298
4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-(6-methyl-pyridin-2-yl)-butyramide
CID 772774
6-(1,3-dioxoisoindol-2-yl)-N-(6-methylpyridin-2-yl)hexanamide
CID 2233111
1,3-Dimethyl-6-phenyl-1,7-dihydro-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 44285952
1-heptan-4-yl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
CID 945786
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
1H-Pyrrolo(2,3-d)pyrimidine-2,4(3H,7H)-dione, 6-phenyl-1,3,5-trimethyl-
CID 215965
1H-Pyrrolo(2,3-d)pyrimidine-2,4(3H,7H)-dione, 5-butyl-1-phenyl-3,6,7-trimethyl-
CID 218468
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 6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione chloride?
The IUPAC name of 6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione chloride (CID 45108854) is 6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione chloride.
What is the SMILES notation for 6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione chloride?
The canonical SMILES for 6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione chloride is CN(C)c1nc(C(C)(C)C)cc2c1C(=O)NC2=O.[Cl-].
What is the InChIKey of 6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione chloride?
The InChIKey is MTNJXUXVNVRXKL-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H17N3O2.ClH/c1-13(2,3)8-6-7-9(10(14-8)16(4)5)12(18)15-11(7)17;/h6H,1-5H3,(H,15,17,18);1H/p-1.
What are the key properties of 6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione chloride?
6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione chloride has a molecular weight of 282.75 g/mol, XLogP of -1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione chloride is sourced from PubChem (CID 45108854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).