5-ethyl-4-hydroxy-2-oxo-6-(5-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyridine-3-carboxylic acid

C16H18N4O4 — CID 71284376

IUPAC5-ethyl-4-hydroxy-2-oxo-6-(5-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2cnc(N3CCCC3)cn2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C16H18N4O4/c1-2-9-13(19-15(22)12(14(9)21)16(23)24)10-7-18-11(8-17-10)20-5-3-4-6-20/h7-8H,2-6H2,1H3,(H,23,24)(H2,19,21,22)
InChIKeyYXSSIGUDJIJQFF-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.40
Rot. Bonds4

About 5-ethyl-4-hydroxy-2-oxo-6-(5-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyridine-3-carboxylic acid

5-ethyl-4-hydroxy-2-oxo-6-(5-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyridine-3-carboxylic acid (PubChem CID 71284376) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-oxo-6-(5-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-oxo-6-(5-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyridine-3-carboxylic acid
PubChem CID71284376
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name5-ethyl-4-hydroxy-2-oxo-6-(5-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2cnc(N3CCCC3)cn2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C16H18N4O4/c1-2-9-13(19-15(22)12(14(9)21)16(23)24)10-7-18-11(8-17-10)20-5-3-4-6-20/h7-8H,2-6H2,1H3,(H,23,24)(H2,19,21,22)
InChIKeyYXSSIGUDJIJQFF-UHFFFAOYSA-N
XLogP1.40
TPSA119.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-oxo-6-(5-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-4-hydroxy-2-oxo-6-(5-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyridine-3-carboxylic acid (CID 71284376) is 5-ethyl-4-hydroxy-2-oxo-6-(5-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-oxo-6-(5-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-4-hydroxy-2-oxo-6-(5-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyridine-3-carboxylic acid is CCc1c(-c2cnc(N3CCCC3)cn2)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-oxo-6-(5-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyridine-3-carboxylic acid?
The InChIKey is YXSSIGUDJIJQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-2-9-13(19-15(22)12(14(9)21)16(23)24)10-7-18-11(8-17-10)20-5-3-4-6-20/h7-8H,2-6H2,1H3,(H,23,24)(H2,19,21,22).
What are the key properties of 5-ethyl-4-hydroxy-2-oxo-6-(5-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyridine-3-carboxylic acid?
5-ethyl-4-hydroxy-2-oxo-6-(5-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyridine-3-carboxylic acid has a molecular weight of 330.34 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-oxo-6-(5-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71284376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).