4-(dimethylamino)-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid

C12H17N3O2 — CID 175337080

IUPAC4-(dimethylamino)-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid
SMILESCc1nc(N(C)C)c2c(c1C)CN(C(=O)O)C2
InChIInChI=1S/C12H17N3O2/c1-7-8(2)13-11(14(3)4)10-6-15(12(16)17)5-9(7)10/h5-6H2,1-4H3,(H,16,17)
InChIKeyIMOCBMGWEDGCQW-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.76
Rot. Bonds1

About 4-(dimethylamino)-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid

4-(dimethylamino)-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid (PubChem CID 175337080) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(dimethylamino)-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(dimethylamino)-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid
PubChem CID175337080
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-(dimethylamino)-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid
SMILESCc1nc(N(C)C)c2c(c1C)CN(C(=O)O)C2
InChIInChI=1S/C12H17N3O2/c1-7-8(2)13-11(14(3)4)10-6-15(12(16)17)5-9(7)10/h5-6H2,1-4H3,(H,16,17)
InChIKeyIMOCBMGWEDGCQW-UHFFFAOYSA-N
XLogP1.76
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(dimethylamino)-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid 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 4-(dimethylamino)-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid?
The IUPAC name of 4-(dimethylamino)-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid (CID 175337080) is 4-(dimethylamino)-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(dimethylamino)-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid?
The canonical SMILES for 4-(dimethylamino)-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid is Cc1nc(N(C)C)c2c(c1C)CN(C(=O)O)C2.
What is the InChIKey of 4-(dimethylamino)-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid?
The InChIKey is IMOCBMGWEDGCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-7-8(2)13-11(14(3)4)10-6-15(12(16)17)5-9(7)10/h5-6H2,1-4H3,(H,16,17).
What are the key properties of 4-(dimethylamino)-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid?
4-(dimethylamino)-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 175337080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).