4-(2,2-dimethyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid

C19H20N2O3 — CID 122111158

IUPAC4-(2,2-dimethyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
SMILESCC1(C)C(c2ccccc2)CCN1C(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C19H20N2O3/c1-19(2)15(13-6-4-3-5-7-13)9-11-21(19)17(22)14-8-10-20-16(12-14)18(23)24/h3-8,10,12,15H,9,11H2,1-2H3,(H,23,24)
InChIKeyWHLKFKMAFWPZQC-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.19
Rot. Bonds3

About 4-(2,2-dimethyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid

4-(2,2-dimethyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid (PubChem CID 122111158) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-(2,2-dimethyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-dimethyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
PubChem CID122111158
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name4-(2,2-dimethyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
SMILESCC1(C)C(c2ccccc2)CCN1C(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C19H20N2O3/c1-19(2)15(13-6-4-3-5-7-13)9-11-21(19)17(22)14-8-10-20-16(12-14)18(23)24/h3-8,10,12,15H,9,11H2,1-2H3,(H,23,24)
InChIKeyWHLKFKMAFWPZQC-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(2,2-dimethyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid (CID 122111158) is 4-(2,2-dimethyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(2,2-dimethyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(2,2-dimethyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid is CC1(C)C(c2ccccc2)CCN1C(=O)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-(2,2-dimethyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid?
The InChIKey is WHLKFKMAFWPZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-19(2)15(13-6-4-3-5-7-13)9-11-21(19)17(22)14-8-10-20-16(12-14)18(23)24/h3-8,10,12,15H,9,11H2,1-2H3,(H,23,24).
What are the key properties of 4-(2,2-dimethyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid?
4-(2,2-dimethyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 122111158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).