4-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid

C12H17N3O2 — CID 102545588

IUPAC4-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
SMILESCc1cc(N2CCN(C)CC2)ncc1C(=O)O
InChIInChI=1S/C12H17N3O2/c1-9-7-11(13-8-10(9)12(16)17)15-5-3-14(2)4-6-15/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyFHUCSEGZXXLFFB-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.84
Rot. Bonds2

About 4-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid

4-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid (PubChem CID 102545588) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
PubChem CID102545588
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
SMILESCc1cc(N2CCN(C)CC2)ncc1C(=O)O
InChIInChI=1S/C12H17N3O2/c1-9-7-11(13-8-10(9)12(16)17)15-5-3-14(2)4-6-15/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyFHUCSEGZXXLFFB-UHFFFAOYSA-N
XLogP0.84
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid (CID 102545588) is 4-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid is Cc1cc(N2CCN(C)CC2)ncc1C(=O)O.
What is the InChIKey of 4-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is FHUCSEGZXXLFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-7-11(13-8-10(9)12(16)17)15-5-3-14(2)4-6-15/h7-8H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid?
4-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 102545588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).