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

C11H16N4O2 — CID 75355651

IUPAC5-amino-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
SMILESCN1CCN(c2ncc(C(=O)O)cc2N)CC1
InChIInChI=1S/C11H16N4O2/c1-14-2-4-15(5-3-14)10-9(12)6-8(7-13-10)11(16)17/h6-7H,2-5,12H2,1H3,(H,16,17)
InChIKeyKCOXZCGZFRRRSJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.11
Rot. Bonds2

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

5-amino-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid (PubChem CID 75355651) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-amino-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
PubChem CID75355651
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name5-amino-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
SMILESCN1CCN(c2ncc(C(=O)O)cc2N)CC1
InChIInChI=1S/C11H16N4O2/c1-14-2-4-15(5-3-14)10-9(12)6-8(7-13-10)11(16)17/h6-7H,2-5,12H2,1H3,(H,16,17)
InChIKeyKCOXZCGZFRRRSJ-UHFFFAOYSA-N
XLogP0.11
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid (CID 75355651) is 5-amino-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid is CN1CCN(c2ncc(C(=O)O)cc2N)CC1.
What is the InChIKey of 5-amino-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is KCOXZCGZFRRRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-14-2-4-15(5-3-14)10-9(12)6-8(7-13-10)11(16)17/h6-7H,2-5,12H2,1H3,(H,16,17).
What are the key properties of 5-amino-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid?
5-amino-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 75355651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).