cyclohexane;1-methyl-N-(2-oxobutyl)-2H-pyrazine-5-carboxamide

C16H27N3O2 — CID 143596119

IUPACcyclohexane;1-methyl-N-(2-oxobutyl)-2H-pyrazine-5-carboxamide
SMILESC1CCCCC1.CCC(=O)CNC(=O)C1=CN(C)CC=N1
InChIInChI=1S/C10H15N3O2.C6H12/c1-3-8(14)6-12-10(15)9-7-13(2)5-4-11-9;1-2-4-6-5-3-1/h4,7H,3,5-6H2,1-2H3,(H,12,15);1-6H2
InChIKeyGFZHUJAWPLFJMC-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.28
Rot. Bonds4

About cyclohexane;1-methyl-N-(2-oxobutyl)-2H-pyrazine-5-carboxamide

cyclohexane;1-methyl-N-(2-oxobutyl)-2H-pyrazine-5-carboxamide (PubChem CID 143596119) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is cyclohexane;1-methyl-N-(2-oxobutyl)-2H-pyrazine-5-carboxamide.

Molecular Properties

Compound Namecyclohexane;1-methyl-N-(2-oxobutyl)-2H-pyrazine-5-carboxamide
PubChem CID143596119
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Namecyclohexane;1-methyl-N-(2-oxobutyl)-2H-pyrazine-5-carboxamide
SMILESC1CCCCC1.CCC(=O)CNC(=O)C1=CN(C)CC=N1
InChIInChI=1S/C10H15N3O2.C6H12/c1-3-8(14)6-12-10(15)9-7-13(2)5-4-11-9;1-2-4-6-5-3-1/h4,7H,3,5-6H2,1-2H3,(H,12,15);1-6H2
InChIKeyGFZHUJAWPLFJMC-UHFFFAOYSA-N
XLogP2.28
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;1-methyl-N-(2-oxobutyl)-2H-pyrazine-5-carboxamide?
The IUPAC name of cyclohexane;1-methyl-N-(2-oxobutyl)-2H-pyrazine-5-carboxamide (CID 143596119) is cyclohexane;1-methyl-N-(2-oxobutyl)-2H-pyrazine-5-carboxamide.
What is the SMILES notation for cyclohexane;1-methyl-N-(2-oxobutyl)-2H-pyrazine-5-carboxamide?
The canonical SMILES for cyclohexane;1-methyl-N-(2-oxobutyl)-2H-pyrazine-5-carboxamide is C1CCCCC1.CCC(=O)CNC(=O)C1=CN(C)CC=N1.
What is the InChIKey of cyclohexane;1-methyl-N-(2-oxobutyl)-2H-pyrazine-5-carboxamide?
The InChIKey is GFZHUJAWPLFJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2.C6H12/c1-3-8(14)6-12-10(15)9-7-13(2)5-4-11-9;1-2-4-6-5-3-1/h4,7H,3,5-6H2,1-2H3,(H,12,15);1-6H2.
What are the key properties of cyclohexane;1-methyl-N-(2-oxobutyl)-2H-pyrazine-5-carboxamide?
cyclohexane;1-methyl-N-(2-oxobutyl)-2H-pyrazine-5-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;1-methyl-N-(2-oxobutyl)-2H-pyrazine-5-carboxamide is sourced from PubChem (CID 143596119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).