4,6-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)amino]pyridine-3-carboxylic acid

C14H20N4O3 — CID 61404479

IUPAC4,6-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NCC(=O)N2CCNCC2)n1
InChIInChI=1S/C14H20N4O3/c1-9-7-10(2)17-13(12(9)14(20)21)16-8-11(19)18-5-3-15-4-6-18/h7,15H,3-6,8H2,1-2H3,(H,16,17)(H,20,21)
InChIKeyVEYWVHMKUZZNPZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.24
Rot. Bonds4

About 4,6-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)amino]pyridine-3-carboxylic acid

4,6-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)amino]pyridine-3-carboxylic acid (PubChem CID 61404479) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)amino]pyridine-3-carboxylic acid
PubChem CID61404479
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name4,6-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NCC(=O)N2CCNCC2)n1
InChIInChI=1S/C14H20N4O3/c1-9-7-10(2)17-13(12(9)14(20)21)16-8-11(19)18-5-3-15-4-6-18/h7,15H,3-6,8H2,1-2H3,(H,16,17)(H,20,21)
InChIKeyVEYWVHMKUZZNPZ-UHFFFAOYSA-N
XLogP0.24
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)amino]pyridine-3-carboxylic acid (CID 61404479) is 4,6-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)amino]pyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(NCC(=O)N2CCNCC2)n1.
What is the InChIKey of 4,6-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)amino]pyridine-3-carboxylic acid?
The InChIKey is VEYWVHMKUZZNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-9-7-10(2)17-13(12(9)14(20)21)16-8-11(19)18-5-3-15-4-6-18/h7,15H,3-6,8H2,1-2H3,(H,16,17)(H,20,21).
What are the key properties of 4,6-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)amino]pyridine-3-carboxylic acid?
4,6-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)amino]pyridine-3-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 61404479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).