5-[2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid

C19H20N2O3 — CID 119137416

IUPAC5-[2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCc1ccccc1C1CC(C)N(C(=O)c2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C19H20N2O3/c1-12-5-3-4-6-16(12)15-9-13(2)21(11-15)18(22)14-7-8-17(19(23)24)20-10-14/h3-8,10,13,15H,9,11H2,1-2H3,(H,23,24)
InChIKeyIZXRUMFUAZYBFI-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.11
Rot. Bonds3

About 5-[2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid

5-[2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid (PubChem CID 119137416) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-[2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
PubChem CID119137416
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name5-[2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCc1ccccc1C1CC(C)N(C(=O)c2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C19H20N2O3/c1-12-5-3-4-6-16(12)15-9-13(2)21(11-15)18(22)14-7-8-17(19(23)24)20-10-14/h3-8,10,13,15H,9,11H2,1-2H3,(H,23,24)
InChIKeyIZXRUMFUAZYBFI-UHFFFAOYSA-N
XLogP3.11
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]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 5-[2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid (CID 119137416) is 5-[2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid is Cc1ccccc1C1CC(C)N(C(=O)c2ccc(C(=O)O)nc2)C1.
What is the InChIKey of 5-[2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is IZXRUMFUAZYBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-5-3-4-6-16(12)15-9-13(2)21(11-15)18(22)14-7-8-17(19(23)24)20-10-14/h3-8,10,13,15H,9,11H2,1-2H3,(H,23,24).
What are the key properties of 5-[2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
5-[2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119137416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).