5-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyrazine-2-carboxylic acid

C15H19N3O3 — CID 120685339

IUPAC5-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NCCC2CC3CCC2C3)cn1
InChIInChI=1S/C15H19N3O3/c19-14(12-7-18-13(8-17-12)15(20)21)16-4-3-11-6-9-1-2-10(11)5-9/h7-11H,1-6H2,(H,16,19)(H,20,21)
InChIKeyPHAKOERARDXDBB-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.73
Rot. Bonds5

About 5-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyrazine-2-carboxylic acid

5-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120685339) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
PubChem CID120685339
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name5-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NCCC2CC3CCC2C3)cn1
InChIInChI=1S/C15H19N3O3/c19-14(12-7-18-13(8-17-12)15(20)21)16-4-3-11-6-9-1-2-10(11)5-9/h7-11H,1-6H2,(H,16,19)(H,20,21)
InChIKeyPHAKOERARDXDBB-UHFFFAOYSA-N
XLogP1.73
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyridine-2-carboxylate
CID 71888558
5-(2-bicyclo[2.2.1]heptanylmethylamino)pyridine-2-carboxylic acid
CID 115490922
N-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 98365172
5-(3-cyclohexylpropylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685018
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]quinoline-4-carboxamide
CID 112835510
5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]pyridine-2-carboxylic acid
CID 81091312
5-[(2-methylcyclopropyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685133
5-(2-tert-butylsulfanylethylcarbamoyl)pyrazine-2-carboxylic acid
CID 120688956
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735957
5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
CID 120684742
6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 63686486
5-[3-(oxolan-3-yloxy)propylcarbamoyl]pyrazine-2-carboxylic acid
CID 120689125

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyrazine-2-carboxylic acid (CID 120685339) is 5-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(C(=O)NCCC2CC3CCC2C3)cn1.
What is the InChIKey of 5-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is PHAKOERARDXDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-14(12-7-18-13(8-17-12)15(20)21)16-4-3-11-6-9-1-2-10(11)5-9/h7-11H,1-6H2,(H,16,19)(H,20,21).
What are the key properties of 5-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
5-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).