5-amino-N-cyclooctylpyrazine-2-carboxamide

C13H20N4O — CID 113381836

IUPAC5-amino-N-cyclooctylpyrazine-2-carboxamide
SMILESNc1cnc(C(=O)NC2CCCCCCC2)cn1
InChIInChI=1S/C13H20N4O/c14-12-9-15-11(8-16-12)13(18)17-10-6-4-2-1-3-5-7-10/h8-10H,1-7H2,(H2,14,16)(H,17,18)
InChIKeyDQRBBYPUJOURDD-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.90
Rot. Bonds2

About 5-amino-N-cyclooctylpyrazine-2-carboxamide

5-amino-N-cyclooctylpyrazine-2-carboxamide (PubChem CID 113381836) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-amino-N-cyclooctylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-cyclooctylpyrazine-2-carboxamide
PubChem CID113381836
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-amino-N-cyclooctylpyrazine-2-carboxamide
SMILESNc1cnc(C(=O)NC2CCCCCCC2)cn1
InChIInChI=1S/C13H20N4O/c14-12-9-15-11(8-16-12)13(18)17-10-6-4-2-1-3-5-7-10/h8-10H,1-7H2,(H2,14,16)(H,17,18)
InChIKeyDQRBBYPUJOURDD-UHFFFAOYSA-N
XLogP1.90
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-N-cyclooctylpyrazine-2-carboxamide 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

5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
CID 120684742
5-amino-N-(4-ethylcyclohexyl)pyrazine-2-carboxamide
CID 113381877
N-cyclohexyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274635
N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274884
2-N,5-N-dicyclohexylpyridine-2,5-dicarboxamide
CID 5195107
N-cycloheptyl-5-(propylamino)pyrazine-2-carboxamide
CID 109271032
N-cyclobutyl-5-(methylamino)pyrazine-2-carboxamide
CID 107375423
2-N-[1-(cyclopentanecarbonyl)piperidin-4-yl]pyrazine-2,5-dicarboxamide
CID 137336941
4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide
CID 131994880
2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide
CID 55116012
2-amino-N-cyclohexyl-1,3-oxazole-4-carboxamide
CID 110848950
N-cycloheptyl-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109275249

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclooctylpyrazine-2-carboxamide?
The IUPAC name of 5-amino-N-cyclooctylpyrazine-2-carboxamide (CID 113381836) is 5-amino-N-cyclooctylpyrazine-2-carboxamide.
What is the SMILES notation for 5-amino-N-cyclooctylpyrazine-2-carboxamide?
The canonical SMILES for 5-amino-N-cyclooctylpyrazine-2-carboxamide is Nc1cnc(C(=O)NC2CCCCCCC2)cn1.
What is the InChIKey of 5-amino-N-cyclooctylpyrazine-2-carboxamide?
The InChIKey is DQRBBYPUJOURDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-12-9-15-11(8-16-12)13(18)17-10-6-4-2-1-3-5-7-10/h8-10H,1-7H2,(H2,14,16)(H,17,18).
What are the key properties of 5-amino-N-cyclooctylpyrazine-2-carboxamide?
5-amino-N-cyclooctylpyrazine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclooctylpyrazine-2-carboxamide is sourced from PubChem (CID 113381836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).