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

C11H14N4O — CID 55209197

IUPAC2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide
SMILESCc1cnc(CNC(=O)C(C)(C)C#N)cn1
InChIInChI=1S/C11H14N4O/c1-8-4-14-9(5-13-8)6-15-10(16)11(2,3)7-12/h4-5H,6H2,1-3H3,(H,15,16)
InChIKeyKFLQMHJGYDMXKO-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.95
Rot. Bonds3

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

2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide (PubChem CID 55209197) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide
PubChem CID55209197
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide
SMILESCc1cnc(CNC(=O)C(C)(C)C#N)cn1
InChIInChI=1S/C11H14N4O/c1-8-4-14-9(5-13-8)6-15-10(16)11(2,3)7-12/h4-5H,6H2,1-3H3,(H,15,16)
InChIKeyKFLQMHJGYDMXKO-UHFFFAOYSA-N
XLogP0.95
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.95
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]propanamide?
The IUPAC name of 2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide (CID 55209197) is 2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide?
The canonical SMILES for 2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide is Cc1cnc(CNC(=O)C(C)(C)C#N)cn1.
What is the InChIKey of 2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide?
The InChIKey is KFLQMHJGYDMXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-4-14-9(5-13-8)6-15-10(16)11(2,3)7-12/h4-5H,6H2,1-3H3,(H,15,16).
What are the key properties of 2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide?
2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide has a molecular weight of 218.26 g/mol, XLogP of 0.95, 3 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]propanamide is sourced from PubChem (CID 55209197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).