6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid

C13H18N4O3 — CID 61408387

IUPAC6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NCCN2CCNCC2)n1
InChIInChI=1S/C13H18N4O3/c18-12(10-2-1-3-11(16-10)13(19)20)15-6-9-17-7-4-14-5-8-17/h1-3,14H,4-9H2,(H,15,18)(H,19,20)
InChIKeyPYHYSRGKRWTWPJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.59
Rot. Bonds5

About 6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid

6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 61408387) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID61408387
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NCCN2CCNCC2)n1
InChIInChI=1S/C13H18N4O3/c18-12(10-2-1-3-11(16-10)13(19)20)15-6-9-17-7-4-14-5-8-17/h1-3,14H,4-9H2,(H,15,18)(H,19,20)
InChIKeyPYHYSRGKRWTWPJ-UHFFFAOYSA-N
XLogP-0.59
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide
CID 43422024
N-(2-piperazin-1-ylethyl)thiadiazole-4-carboxamide
CID 65216444
2-phenyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;hydrochloride
CID 119448479
6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 115497621
6-chloro-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 55052305
3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
CID 43600333
5-cyano-N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide
CID 63724069
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid
CID 61403349
6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 103875005
2-(2-fluorophenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 43600344
N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119446239

Frequently Asked Questions

What is the IUPAC name of 6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid (CID 61408387) is 6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)NCCN2CCNCC2)n1.
What is the InChIKey of 6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is PYHYSRGKRWTWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c18-12(10-2-1-3-11(16-10)13(19)20)15-6-9-17-7-4-14-5-8-17/h1-3,14H,4-9H2,(H,15,18)(H,19,20).
What are the key properties of 6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid?
6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of -0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 61408387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).