2-(3,4,5-trimethylpiperazine-1-carbonyl)pyridine-3-carboxylic acid

C14H19N3O3 — CID 114543527

IUPAC2-(3,4,5-trimethylpiperazine-1-carbonyl)pyridine-3-carboxylic acid
SMILESCC1CN(C(=O)c2ncccc2C(=O)O)CC(C)N1C
InChIInChI=1S/C14H19N3O3/c1-9-7-17(8-10(2)16(9)3)13(18)12-11(14(19)20)5-4-6-15-12/h4-6,9-10H,7-8H2,1-3H3,(H,19,20)
InChIKeyHPSJYVRFJOWOIE-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.94
Rot. Bonds2

About 2-(3,4,5-trimethylpiperazine-1-carbonyl)pyridine-3-carboxylic acid

2-(3,4,5-trimethylpiperazine-1-carbonyl)pyridine-3-carboxylic acid (PubChem CID 114543527) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(3,4,5-trimethylpiperazine-1-carbonyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3,4,5-trimethylpiperazine-1-carbonyl)pyridine-3-carboxylic acid
PubChem CID114543527
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-(3,4,5-trimethylpiperazine-1-carbonyl)pyridine-3-carboxylic acid
SMILESCC1CN(C(=O)c2ncccc2C(=O)O)CC(C)N1C
InChIInChI=1S/C14H19N3O3/c1-9-7-17(8-10(2)16(9)3)13(18)12-11(14(19)20)5-4-6-15-12/h4-6,9-10H,7-8H2,1-3H3,(H,19,20)
InChIKeyHPSJYVRFJOWOIE-UHFFFAOYSA-N
XLogP0.94
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4,5-trimethylpiperazine-1-carbonyl)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 112624740
2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 55248178
2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid
CID 63622054
2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 63615245
3-(3,4,5-trimethylpiperazin-1-yl)pyridine-2-carboxylic acid
CID 114541181
2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyridine-3-carboxylic acid
CID 102743092
2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63614455
2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63616424
2-(3-acetamidopiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63616081
2-(4-benzhydrylpiperazine-1-carbonyl)pyridine-3-carboxylic acid
CID 53270719
2-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 103194984
2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 122106252

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethylpiperazine-1-carbonyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3,4,5-trimethylpiperazine-1-carbonyl)pyridine-3-carboxylic acid (CID 114543527) is 2-(3,4,5-trimethylpiperazine-1-carbonyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3,4,5-trimethylpiperazine-1-carbonyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3,4,5-trimethylpiperazine-1-carbonyl)pyridine-3-carboxylic acid is CC1CN(C(=O)c2ncccc2C(=O)O)CC(C)N1C.
What is the InChIKey of 2-(3,4,5-trimethylpiperazine-1-carbonyl)pyridine-3-carboxylic acid?
The InChIKey is HPSJYVRFJOWOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-7-17(8-10(2)16(9)3)13(18)12-11(14(19)20)5-4-6-15-12/h4-6,9-10H,7-8H2,1-3H3,(H,19,20).
What are the key properties of 2-(3,4,5-trimethylpiperazine-1-carbonyl)pyridine-3-carboxylic acid?
2-(3,4,5-trimethylpiperazine-1-carbonyl)pyridine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethylpiperazine-1-carbonyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 114543527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).