2-methyl-N-(pyrazin-2-ylmethyl)propanamide

C9H13N3O — CID 58826821

IUPAC2-methyl-N-(pyrazin-2-ylmethyl)propanamide
SMILESCC(C)C(=O)NCc1cnccn1
InChIInChI=1S/C9H13N3O/c1-7(2)9(13)12-6-8-5-10-3-4-11-8/h3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyMMISCFXIASVYDY-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.75
Rot. Bonds3

About 2-methyl-N-(pyrazin-2-ylmethyl)propanamide

2-methyl-N-(pyrazin-2-ylmethyl)propanamide (PubChem CID 58826821) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-methyl-N-(pyrazin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(pyrazin-2-ylmethyl)propanamide
PubChem CID58826821
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-methyl-N-(pyrazin-2-ylmethyl)propanamide
SMILESCC(C)C(=O)NCc1cnccn1
InChIInChI=1S/C9H13N3O/c1-7(2)9(13)12-6-8-5-10-3-4-11-8/h3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyMMISCFXIASVYDY-UHFFFAOYSA-N
XLogP0.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyrazin-2-ylmethyl)propanamide?
The IUPAC name of 2-methyl-N-(pyrazin-2-ylmethyl)propanamide (CID 58826821) is 2-methyl-N-(pyrazin-2-ylmethyl)propanamide.
What is the SMILES notation for 2-methyl-N-(pyrazin-2-ylmethyl)propanamide?
The canonical SMILES for 2-methyl-N-(pyrazin-2-ylmethyl)propanamide is CC(C)C(=O)NCc1cnccn1.
What is the InChIKey of 2-methyl-N-(pyrazin-2-ylmethyl)propanamide?
The InChIKey is MMISCFXIASVYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7(2)9(13)12-6-8-5-10-3-4-11-8/h3-5,7H,6H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-N-(pyrazin-2-ylmethyl)propanamide?
2-methyl-N-(pyrazin-2-ylmethyl)propanamide has a molecular weight of 179.22 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyrazin-2-ylmethyl)propanamide is sourced from PubChem (CID 58826821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).