2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]butanamide

C12H16N4O — CID 113270337

IUPAC2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]butanamide
SMILESCCC(C)(C#N)C(=O)NCc1cnc(C)cn1
InChIInChI=1S/C12H16N4O/c1-4-12(3,8-13)11(17)16-7-10-6-14-9(2)5-15-10/h5-6H,4,7H2,1-3H3,(H,16,17)
InChIKeyJXWUOTKJHCSMFL-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.34
Rot. Bonds4

About 2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]butanamide

2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]butanamide (PubChem CID 113270337) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]butanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]butanamide
PubChem CID113270337
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]butanamide
SMILESCCC(C)(C#N)C(=O)NCc1cnc(C)cn1
InChIInChI=1S/C12H16N4O/c1-4-12(3,8-13)11(17)16-7-10-6-14-9(2)5-15-10/h5-6H,4,7H2,1-3H3,(H,16,17)
InChIKeyJXWUOTKJHCSMFL-UHFFFAOYSA-N
XLogP1.34
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]butanamide?
The IUPAC name of 2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]butanamide (CID 113270337) is 2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]butanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]butanamide?
The canonical SMILES for 2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]butanamide is CCC(C)(C#N)C(=O)NCc1cnc(C)cn1.
What is the InChIKey of 2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]butanamide?
The InChIKey is JXWUOTKJHCSMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-4-12(3,8-13)11(17)16-7-10-6-14-9(2)5-15-10/h5-6H,4,7H2,1-3H3,(H,16,17).
What are the key properties of 2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]butanamide?
2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]butanamide has a molecular weight of 232.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]butanamide is sourced from PubChem (CID 113270337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).