6-(2,2-dimethylpyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid

C16H18N2O3 — CID 149017866

IUPAC6-(2,2-dimethylpyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCC1(C)CCCN1C(=O)C1=Cc2nccc(C(=O)O)c2C1
InChIInChI=1S/C16H18N2O3/c1-16(2)5-3-7-18(16)14(19)10-8-12-11(15(20)21)4-6-17-13(12)9-10/h4,6,9H,3,5,7-8H2,1-2H3,(H,20,21)
InChIKeyQCWYKVBSAMTANR-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.12
Rot. Bonds2

About 6-(2,2-dimethylpyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid

6-(2,2-dimethylpyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 149017866) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-(2,2-dimethylpyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(2,2-dimethylpyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
PubChem CID149017866
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name6-(2,2-dimethylpyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCC1(C)CCCN1C(=O)C1=Cc2nccc(C(=O)O)c2C1
InChIInChI=1S/C16H18N2O3/c1-16(2)5-3-7-18(16)14(19)10-8-12-11(15(20)21)4-6-17-13(12)9-10/h4,6,9H,3,5,7-8H2,1-2H3,(H,20,21)
InChIKeyQCWYKVBSAMTANR-UHFFFAOYSA-N
XLogP2.12
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2,2-dimethylpyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-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 6-(2,2-dimethylpyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(2,2-dimethylpyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 149017866) is 6-(2,2-dimethylpyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(2,2-dimethylpyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(2,2-dimethylpyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid is CC1(C)CCCN1C(=O)C1=Cc2nccc(C(=O)O)c2C1.
What is the InChIKey of 6-(2,2-dimethylpyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is QCWYKVBSAMTANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-16(2)5-3-7-18(16)14(19)10-8-12-11(15(20)21)4-6-17-13(12)9-10/h4,6,9H,3,5,7-8H2,1-2H3,(H,20,21).
What are the key properties of 6-(2,2-dimethylpyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid?
6-(2,2-dimethylpyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 149017866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).