5-ethyl-2-oxo-6-[4-(3-pyridin-4-ylpyrrolidin-1-yl)phenyl]-1H-pyridine-3-carboxylic acid

C23H23N3O3 — CID 71281895

IUPAC5-ethyl-2-oxo-6-[4-(3-pyridin-4-ylpyrrolidin-1-yl)phenyl]-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCC(c3ccncc3)C2)cc1
InChIInChI=1S/C23H23N3O3/c1-2-15-13-20(23(28)29)22(27)25-21(15)17-3-5-19(6-4-17)26-12-9-18(14-26)16-7-10-24-11-8-16/h3-8,10-11,13,18H,2,9,12,14H2,1H3,(H,25,27)(H,28,29)
InChIKeyJOCNKLJPVIKAJD-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.69
Rot. Bonds5

About 5-ethyl-2-oxo-6-[4-(3-pyridin-4-ylpyrrolidin-1-yl)phenyl]-1H-pyridine-3-carboxylic acid

5-ethyl-2-oxo-6-[4-(3-pyridin-4-ylpyrrolidin-1-yl)phenyl]-1H-pyridine-3-carboxylic acid (PubChem CID 71281895) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-ethyl-2-oxo-6-[4-(3-pyridin-4-ylpyrrolidin-1-yl)phenyl]-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2-oxo-6-[4-(3-pyridin-4-ylpyrrolidin-1-yl)phenyl]-1H-pyridine-3-carboxylic acid
PubChem CID71281895
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name5-ethyl-2-oxo-6-[4-(3-pyridin-4-ylpyrrolidin-1-yl)phenyl]-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCC(c3ccncc3)C2)cc1
InChIInChI=1S/C23H23N3O3/c1-2-15-13-20(23(28)29)22(27)25-21(15)17-3-5-19(6-4-17)26-12-9-18(14-26)16-7-10-24-11-8-16/h3-8,10-11,13,18H,2,9,12,14H2,1H3,(H,25,27)(H,28,29)
InChIKeyJOCNKLJPVIKAJD-UHFFFAOYSA-N
XLogP3.69
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-oxo-6-[4-(3-pyridin-4-ylpyrrolidin-1-yl)phenyl]-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-2-oxo-6-[4-(3-pyridin-4-ylpyrrolidin-1-yl)phenyl]-1H-pyridine-3-carboxylic acid (CID 71281895) is 5-ethyl-2-oxo-6-[4-(3-pyridin-4-ylpyrrolidin-1-yl)phenyl]-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-2-oxo-6-[4-(3-pyridin-4-ylpyrrolidin-1-yl)phenyl]-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-2-oxo-6-[4-(3-pyridin-4-ylpyrrolidin-1-yl)phenyl]-1H-pyridine-3-carboxylic acid is CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCC(c3ccncc3)C2)cc1.
What is the InChIKey of 5-ethyl-2-oxo-6-[4-(3-pyridin-4-ylpyrrolidin-1-yl)phenyl]-1H-pyridine-3-carboxylic acid?
The InChIKey is JOCNKLJPVIKAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-2-15-13-20(23(28)29)22(27)25-21(15)17-3-5-19(6-4-17)26-12-9-18(14-26)16-7-10-24-11-8-16/h3-8,10-11,13,18H,2,9,12,14H2,1H3,(H,25,27)(H,28,29).
What are the key properties of 5-ethyl-2-oxo-6-[4-(3-pyridin-4-ylpyrrolidin-1-yl)phenyl]-1H-pyridine-3-carboxylic acid?
5-ethyl-2-oxo-6-[4-(3-pyridin-4-ylpyrrolidin-1-yl)phenyl]-1H-pyridine-3-carboxylic acid has a molecular weight of 389.46 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-oxo-6-[4-(3-pyridin-4-ylpyrrolidin-1-yl)phenyl]-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71281895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).