6-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carboxylic acid

C11H14N4O4 — CID 80502820

IUPAC6-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carboxylic acid
SMILESCN1CCN(c2ncc(C(=O)O)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C11H14N4O4/c1-13-2-4-14(5-3-13)10-9(15(18)19)6-8(7-12-10)11(16)17/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyGSMDLOPLZNZTSI-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.44
Rot. Bonds3

About 6-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carboxylic acid

6-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carboxylic acid (PubChem CID 80502820) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carboxylic acid
PubChem CID80502820
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name6-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carboxylic acid
SMILESCN1CCN(c2ncc(C(=O)O)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C11H14N4O4/c1-13-2-4-14(5-3-13)10-9(15(18)19)6-8(7-12-10)11(16)17/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyGSMDLOPLZNZTSI-UHFFFAOYSA-N
XLogP0.44
TPSA99.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-nitro-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 81442240
6-(4-methoxypiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81438441
6-(4-carbamoylpiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81441699
6-(3-methylpiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81438369
5-nitro-6-(5-oxo-1,4-diazepan-1-yl)pyridine-3-carboxylic acid
CID 81438317
5-amino-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 75355651
6-(3-ethylpyrrolidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 113417729
6-(2,2-dimethylmorpholin-4-yl)-5-nitropyridine-3-carboxylic acid
CID 81438643
6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-5-nitropyridine-3-carboxylic acid
CID 104967597
6-(4-methylpyrazol-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81438090
6-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81437895
6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81438362

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carboxylic acid?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carboxylic acid (CID 80502820) is 6-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carboxylic acid is CN1CCN(c2ncc(C(=O)O)cc2[N+](=O)[O-])CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carboxylic acid?
The InChIKey is GSMDLOPLZNZTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-13-2-4-14(5-3-13)10-9(15(18)19)6-8(7-12-10)11(16)17/h6-7H,2-5H2,1H3,(H,16,17).
What are the key properties of 6-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carboxylic acid?
6-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carboxylic acid has a molecular weight of 266.26 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 80502820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).