2-[1-[2-(2-oxopyrrolidin-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid

C15H16N4O3 — CID 90407146

IUPAC2-[1-[2-(2-oxopyrrolidin-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cn(CCN3CCCC3=O)cn2)c1
InChIInChI=1S/C15H16N4O3/c20-14-2-1-5-19(14)7-6-18-9-13(17-10-18)12-8-11(15(21)22)3-4-16-12/h3-4,8-10H,1-2,5-7H2,(H,21,22)
InChIKeyYPVNFSOVJOZZTM-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.27
Rot. Bonds5

About 2-[1-[2-(2-oxopyrrolidin-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-[2-(2-oxopyrrolidin-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90407146) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-[1-[2-(2-oxopyrrolidin-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[2-(2-oxopyrrolidin-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90407146
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name2-[1-[2-(2-oxopyrrolidin-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cn(CCN3CCCC3=O)cn2)c1
InChIInChI=1S/C15H16N4O3/c20-14-2-1-5-19(14)7-6-18-9-13(17-10-18)12-8-11(15(21)22)3-4-16-12/h3-4,8-10H,1-2,5-7H2,(H,21,22)
InChIKeyYPVNFSOVJOZZTM-UHFFFAOYSA-N
XLogP1.27
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[2-(2-oxopyrrolidin-1-yl)ethyl]imidazol-4-yl]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 2-[1-[2-(2-oxopyrrolidin-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[2-(2-oxopyrrolidin-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid (CID 90407146) is 2-[1-[2-(2-oxopyrrolidin-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[2-(2-oxopyrrolidin-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[2-(2-oxopyrrolidin-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cn(CCN3CCCC3=O)cn2)c1.
What is the InChIKey of 2-[1-[2-(2-oxopyrrolidin-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is YPVNFSOVJOZZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c20-14-2-1-5-19(14)7-6-18-9-13(17-10-18)12-8-11(15(21)22)3-4-16-12/h3-4,8-10H,1-2,5-7H2,(H,21,22).
What are the key properties of 2-[1-[2-(2-oxopyrrolidin-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-[2-(2-oxopyrrolidin-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 300.32 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-oxopyrrolidin-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90407146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).