N-cyclooctylpyrazine-2-carboxamide

C13H19N3O — CID 581021

IUPACN-cyclooctylpyrazine-2-carboxamide
SMILESO=C(NC1CCCCCCC1)c1cnccn1
InChIInChI=1S/C13H19N3O/c17-13(12-10-14-8-9-15-12)16-11-6-4-2-1-3-5-7-11/h8-11H,1-7H2,(H,16,17)
InChIKeyABOXMPNTIYFYFL-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.32
Rot. Bonds2

About N-cyclooctylpyrazine-2-carboxamide

N-cyclooctylpyrazine-2-carboxamide (PubChem CID 581021) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-cyclooctylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclooctylpyrazine-2-carboxamide
PubChem CID581021
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-cyclooctylpyrazine-2-carboxamide
SMILESO=C(NC1CCCCCCC1)c1cnccn1
InChIInChI=1S/C13H19N3O/c17-13(12-10-14-8-9-15-12)16-11-6-4-2-1-3-5-7-11/h8-11H,1-7H2,(H,16,17)
InChIKeyABOXMPNTIYFYFL-UHFFFAOYSA-N
XLogP2.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctylpyrazine-2-carboxamide?
The IUPAC name of N-cyclooctylpyrazine-2-carboxamide (CID 581021) is N-cyclooctylpyrazine-2-carboxamide.
What is the SMILES notation for N-cyclooctylpyrazine-2-carboxamide?
The canonical SMILES for N-cyclooctylpyrazine-2-carboxamide is O=C(NC1CCCCCCC1)c1cnccn1.
What is the InChIKey of N-cyclooctylpyrazine-2-carboxamide?
The InChIKey is ABOXMPNTIYFYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-13(12-10-14-8-9-15-12)16-11-6-4-2-1-3-5-7-11/h8-11H,1-7H2,(H,16,17).
What are the key properties of N-cyclooctylpyrazine-2-carboxamide?
N-cyclooctylpyrazine-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctylpyrazine-2-carboxamide is sourced from PubChem (CID 581021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).