6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid

C11H15N3O2 — CID 81232904

IUPAC6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid
SMILESCc1cc(N2CCNCC2)c(C(=O)O)cn1
InChIInChI=1S/C11H15N3O2/c1-8-6-10(9(7-13-8)11(15)16)14-4-2-12-3-5-14/h6-7,12H,2-5H2,1H3,(H,15,16)
InChIKeyWGWSHMXDSBGYHT-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.50
Rot. Bonds2

About 6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid

6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid (PubChem CID 81232904) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid
PubChem CID81232904
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid
SMILESCc1cc(N2CCNCC2)c(C(=O)O)cn1
InChIInChI=1S/C11H15N3O2/c1-8-6-10(9(7-13-8)11(15)16)14-4-2-12-3-5-14/h6-7,12H,2-5H2,1H3,(H,15,16)
InChIKeyWGWSHMXDSBGYHT-UHFFFAOYSA-N
XLogP0.50
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Aminonicotinic Acid
CID 354316
(2,2'-Bipyridine)-5,5'-dicarboxylic acid
CID 192744
5-(Methylamino)pyridine-3-carboxylic acid
CID 2050103
5-(Dimethylamino)pyridine-3-carboxylic acid
CID 2050105
2-[[2-(Trifluoromethyl)-4-pyridinyl]amino]benzoic acid
CID 1484876
2-[(Pyridin-3-ylmethyl)amino]benzoic acid
CID 3442459
6-Methylnicotinic acid
CID 137860
(2,2'-Bipyridine)-5-carboxylic acid
CID 192752
4-Aminonicotinic acid
CID 319979
6-(Trifluoromethyl)nicotinic acid
CID 2777551
Kdoam-1
CID 126961671
4-{[1-Methyl-3-oxo-3-(3-pyridinyl)-1-propenyl]amino}benzoic acid
CID 5408044

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid (CID 81232904) is 6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid is Cc1cc(N2CCNCC2)c(C(=O)O)cn1.
What is the InChIKey of 6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid?
The InChIKey is WGWSHMXDSBGYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-6-10(9(7-13-8)11(15)16)14-4-2-12-3-5-14/h6-7,12H,2-5H2,1H3,(H,15,16).
What are the key properties of 6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid?
6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 81232904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).