4-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid

C16H16N2O3 — CID 175826242

IUPAC4-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(-c2ccc(N3CCCC3)cc2)cc1=O
InChIInChI=1S/C16H16N2O3/c19-15-9-14(17-10-13(15)16(20)21)11-3-5-12(6-4-11)18-7-1-2-8-18/h3-6,9-10H,1-2,7-8H2,(H,17,19)(H,20,21)
InChIKeyRHZJHQQWTNRXNA-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.34
Rot. Bonds3

About 4-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid

4-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid (PubChem CID 175826242) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid
PubChem CID175826242
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name4-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(-c2ccc(N3CCCC3)cc2)cc1=O
InChIInChI=1S/C16H16N2O3/c19-15-9-14(17-10-13(15)16(20)21)11-3-5-12(6-4-11)18-7-1-2-8-18/h3-6,9-10H,1-2,7-8H2,(H,17,19)(H,20,21)
InChIKeyRHZJHQQWTNRXNA-UHFFFAOYSA-N
XLogP2.34
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-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-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid (CID 175826242) is 4-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid is O=C(O)c1c[nH]c(-c2ccc(N3CCCC3)cc2)cc1=O.
What is the InChIKey of 4-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid?
The InChIKey is RHZJHQQWTNRXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-15-9-14(17-10-13(15)16(20)21)11-3-5-12(6-4-11)18-7-1-2-8-18/h3-6,9-10H,1-2,7-8H2,(H,17,19)(H,20,21).
What are the key properties of 4-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid?
4-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 175826242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).