6-(3-oxo-4-propan-2-ylpiperazin-1-yl)pyridine-2-carboxylic acid

C13H17N3O3 — CID 122057509

IUPAC6-(3-oxo-4-propan-2-ylpiperazin-1-yl)pyridine-2-carboxylic acid
SMILESCC(C)N1CCN(c2cccc(C(=O)O)n2)CC1=O
InChIInChI=1S/C13H17N3O3/c1-9(2)16-7-6-15(8-12(16)17)11-5-3-4-10(14-11)13(18)19/h3-5,9H,6-8H2,1-2H3,(H,18,19)
InChIKeyDCIANFBLPUWMMT-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.84
Rot. Bonds3

About 6-(3-oxo-4-propan-2-ylpiperazin-1-yl)pyridine-2-carboxylic acid

6-(3-oxo-4-propan-2-ylpiperazin-1-yl)pyridine-2-carboxylic acid (PubChem CID 122057509) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-(3-oxo-4-propan-2-ylpiperazin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-oxo-4-propan-2-ylpiperazin-1-yl)pyridine-2-carboxylic acid
PubChem CID122057509
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name6-(3-oxo-4-propan-2-ylpiperazin-1-yl)pyridine-2-carboxylic acid
SMILESCC(C)N1CCN(c2cccc(C(=O)O)n2)CC1=O
InChIInChI=1S/C13H17N3O3/c1-9(2)16-7-6-15(8-12(16)17)11-5-3-4-10(14-11)13(18)19/h3-5,9H,6-8H2,1-2H3,(H,18,19)
InChIKeyDCIANFBLPUWMMT-UHFFFAOYSA-N
XLogP0.84
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-oxo-4-propan-2-ylpiperazin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(3-oxo-4-propan-2-ylpiperazin-1-yl)pyridine-2-carboxylic acid (CID 122057509) is 6-(3-oxo-4-propan-2-ylpiperazin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-oxo-4-propan-2-ylpiperazin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-oxo-4-propan-2-ylpiperazin-1-yl)pyridine-2-carboxylic acid is CC(C)N1CCN(c2cccc(C(=O)O)n2)CC1=O.
What is the InChIKey of 6-(3-oxo-4-propan-2-ylpiperazin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is DCIANFBLPUWMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9(2)16-7-6-15(8-12(16)17)11-5-3-4-10(14-11)13(18)19/h3-5,9H,6-8H2,1-2H3,(H,18,19).
What are the key properties of 6-(3-oxo-4-propan-2-ylpiperazin-1-yl)pyridine-2-carboxylic acid?
6-(3-oxo-4-propan-2-ylpiperazin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-oxo-4-propan-2-ylpiperazin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 122057509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).