6-amino-N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide

C13H20N4O — CID 114035957

IUPAC6-amino-N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide
SMILESCC1(C)CCC(NC(=O)c2cncc(N)n2)CC1
InChIInChI=1S/C13H20N4O/c1-13(2)5-3-9(4-6-13)16-12(18)10-7-15-8-11(14)17-10/h7-9H,3-6H2,1-2H3,(H2,14,17)(H,16,18)
InChIKeyKWZDQAMISQMOCL-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.76
Rot. Bonds2

About 6-amino-N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide

6-amino-N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide (PubChem CID 114035957) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-amino-N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide
PubChem CID114035957
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name6-amino-N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide
SMILESCC1(C)CCC(NC(=O)c2cncc(N)n2)CC1
InChIInChI=1S/C13H20N4O/c1-13(2)5-3-9(4-6-13)16-12(18)10-7-15-8-11(14)17-10/h7-9H,3-6H2,1-2H3,(H2,14,17)(H,16,18)
InChIKeyKWZDQAMISQMOCL-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide?
The IUPAC name of 6-amino-N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide (CID 114035957) is 6-amino-N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-amino-N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-amino-N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide is CC1(C)CCC(NC(=O)c2cncc(N)n2)CC1.
What is the InChIKey of 6-amino-N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide?
The InChIKey is KWZDQAMISQMOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-13(2)5-3-9(4-6-13)16-12(18)10-7-15-8-11(14)17-10/h7-9H,3-6H2,1-2H3,(H2,14,17)(H,16,18).
What are the key properties of 6-amino-N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide?
6-amino-N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide is sourced from PubChem (CID 114035957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).