5-(4-ethyl-3-methylpiperazin-1-yl)pyridine-2-carboxylic acid

C13H19N3O2 — CID 113321627

IUPAC5-(4-ethyl-3-methylpiperazin-1-yl)pyridine-2-carboxylic acid
SMILESCCN1CCN(c2ccc(C(=O)O)nc2)CC1C
InChIInChI=1S/C13H19N3O2/c1-3-15-6-7-16(9-10(15)2)11-4-5-12(13(17)18)14-8-11/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,17,18)
InChIKeyGQYCGOBEDCJLNK-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.31
Rot. Bonds3

About 5-(4-ethyl-3-methylpiperazin-1-yl)pyridine-2-carboxylic acid

5-(4-ethyl-3-methylpiperazin-1-yl)pyridine-2-carboxylic acid (PubChem CID 113321627) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-(4-ethyl-3-methylpiperazin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-ethyl-3-methylpiperazin-1-yl)pyridine-2-carboxylic acid
PubChem CID113321627
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-(4-ethyl-3-methylpiperazin-1-yl)pyridine-2-carboxylic acid
SMILESCCN1CCN(c2ccc(C(=O)O)nc2)CC1C
InChIInChI=1S/C13H19N3O2/c1-3-15-6-7-16(9-10(15)2)11-4-5-12(13(17)18)14-8-11/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,17,18)
InChIKeyGQYCGOBEDCJLNK-UHFFFAOYSA-N
XLogP1.31
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethyl-3-methylpiperazin-1-yl)pyridin-2-amine
CID 63608912
5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid
CID 113321639
6-(4-ethyl-3-methylpiperazin-1-yl)-5-methylpyridine-3-carboxylic acid
CID 80632175
2-[2-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-5-yl]acetic acid
CID 175262495
5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridine-2-carboxylic acid
CID 102933160
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 104638980
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxylic acid
CID 115491013
5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 63620885
[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methanol
CID 55218133
5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 114797982
6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carbaldehyde
CID 80631815
5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 115491017

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-3-methylpiperazin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(4-ethyl-3-methylpiperazin-1-yl)pyridine-2-carboxylic acid (CID 113321627) is 5-(4-ethyl-3-methylpiperazin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(4-ethyl-3-methylpiperazin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(4-ethyl-3-methylpiperazin-1-yl)pyridine-2-carboxylic acid is CCN1CCN(c2ccc(C(=O)O)nc2)CC1C.
What is the InChIKey of 5-(4-ethyl-3-methylpiperazin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is GQYCGOBEDCJLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-15-6-7-16(9-10(15)2)11-4-5-12(13(17)18)14-8-11/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,17,18).
What are the key properties of 5-(4-ethyl-3-methylpiperazin-1-yl)pyridine-2-carboxylic acid?
5-(4-ethyl-3-methylpiperazin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-3-methylpiperazin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 113321627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).