5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid

C14H19N3O3 — CID 120684742

IUPAC5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NC2CCCCCCC2)cn1
InChIInChI=1S/C14H19N3O3/c18-13(11-8-16-12(9-15-11)14(19)20)17-10-6-4-2-1-3-5-7-10/h8-10H,1-7H2,(H,17,18)(H,19,20)
InChIKeyDCJOFOCSENLCSV-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.02
Rot. Bonds3

About 5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid

5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid (PubChem CID 120684742) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
PubChem CID120684742
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NC2CCCCCCC2)cn1
InChIInChI=1S/C14H19N3O3/c18-13(11-8-16-12(9-15-11)14(19)20)17-10-6-4-2-1-3-5-7-10/h8-10H,1-7H2,(H,17,18)(H,19,20)
InChIKeyDCJOFOCSENLCSV-UHFFFAOYSA-N
XLogP2.02
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-cyclooctylpyrazine-2-carboxamide
CID 113381836
N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274884
N-cyclohexyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274635
5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid
CID 43414727
5-[(3-methylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689052
2-N-[1-(cyclopentanecarbonyl)piperidin-4-yl]pyrazine-2,5-dicarboxamide
CID 137336941
N-cycloheptyl-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109275249
2-N,5-N-dicyclohexylpyridine-2,5-dicarboxamide
CID 5195107
N-cyclopropyl-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109271555
N-cyclohexyl-5-(4-formylpiperidin-1-yl)pyrazine-2-carboxamide
CID 167041254
5-(3-cyclohexylpropylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685018
N-cycloheptyl-5-(propylamino)pyrazine-2-carboxamide
CID 109271032

Frequently Asked Questions

What is the IUPAC name of 5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid (CID 120684742) is 5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid is O=C(O)c1cnc(C(=O)NC2CCCCCCC2)cn1.
What is the InChIKey of 5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid?
The InChIKey is DCJOFOCSENLCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-13(11-8-16-12(9-15-11)14(19)20)17-10-6-4-2-1-3-5-7-10/h8-10H,1-7H2,(H,17,18)(H,19,20).
What are the key properties of 5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid?
5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 120684742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).