6-(methylamino)-N-(4-methylcyclohexyl)pyrazine-2-carboxamide

C13H20N4O — CID 114035620

IUPAC6-(methylamino)-N-(4-methylcyclohexyl)pyrazine-2-carboxamide
SMILESCNc1cncc(C(=O)NC2CCC(C)CC2)n1
InChIInChI=1S/C13H20N4O/c1-9-3-5-10(6-4-9)16-13(18)11-7-15-8-12(14-2)17-11/h7-10H,3-6H2,1-2H3,(H,14,17)(H,16,18)
InChIKeyZQMQGFDLTHIOQL-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.83
Rot. Bonds3

About 6-(methylamino)-N-(4-methylcyclohexyl)pyrazine-2-carboxamide

6-(methylamino)-N-(4-methylcyclohexyl)pyrazine-2-carboxamide (PubChem CID 114035620) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-(methylamino)-N-(4-methylcyclohexyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(methylamino)-N-(4-methylcyclohexyl)pyrazine-2-carboxamide
PubChem CID114035620
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name6-(methylamino)-N-(4-methylcyclohexyl)pyrazine-2-carboxamide
SMILESCNc1cncc(C(=O)NC2CCC(C)CC2)n1
InChIInChI=1S/C13H20N4O/c1-9-3-5-10(6-4-9)16-13(18)11-7-15-8-12(14-2)17-11/h7-10H,3-6H2,1-2H3,(H,14,17)(H,16,18)
InChIKeyZQMQGFDLTHIOQL-UHFFFAOYSA-N
XLogP1.83
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-(4-methylcyclohexyl)pyrazine-2-carboxamide?
The IUPAC name of 6-(methylamino)-N-(4-methylcyclohexyl)pyrazine-2-carboxamide (CID 114035620) is 6-(methylamino)-N-(4-methylcyclohexyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-(methylamino)-N-(4-methylcyclohexyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-(methylamino)-N-(4-methylcyclohexyl)pyrazine-2-carboxamide is CNc1cncc(C(=O)NC2CCC(C)CC2)n1.
What is the InChIKey of 6-(methylamino)-N-(4-methylcyclohexyl)pyrazine-2-carboxamide?
The InChIKey is ZQMQGFDLTHIOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-3-5-10(6-4-9)16-13(18)11-7-15-8-12(14-2)17-11/h7-10H,3-6H2,1-2H3,(H,14,17)(H,16,18).
What are the key properties of 6-(methylamino)-N-(4-methylcyclohexyl)pyrazine-2-carboxamide?
6-(methylamino)-N-(4-methylcyclohexyl)pyrazine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-(4-methylcyclohexyl)pyrazine-2-carboxamide is sourced from PubChem (CID 114035620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).