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

C10H14BrN3O — CID 62856187

IUPAC2-bromo-N-[(5-methylpyrazin-2-yl)methyl]butanamide
SMILESCCC(Br)C(=O)NCc1cnc(C)cn1
InChIInChI=1S/C10H14BrN3O/c1-3-9(11)10(15)14-6-8-5-12-7(2)4-13-8/h4-5,9H,3,6H2,1-2H3,(H,14,15)
InChIKeyWKRJREIDASSDBX-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.57
Rot. Bonds4

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

2-bromo-N-[(5-methylpyrazin-2-yl)methyl]butanamide (PubChem CID 62856187) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 2-bromo-N-[(5-methylpyrazin-2-yl)methyl]butanamide.

Molecular Properties

Compound Name2-bromo-N-[(5-methylpyrazin-2-yl)methyl]butanamide
PubChem CID62856187
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name2-bromo-N-[(5-methylpyrazin-2-yl)methyl]butanamide
SMILESCCC(Br)C(=O)NCc1cnc(C)cn1
InChIInChI=1S/C10H14BrN3O/c1-3-9(11)10(15)14-6-8-5-12-7(2)4-13-8/h4-5,9H,3,6H2,1-2H3,(H,14,15)
InChIKeyWKRJREIDASSDBX-UHFFFAOYSA-N
XLogP1.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-methylpyrazin-2-yl)methyl]butanamide?
The IUPAC name of 2-bromo-N-[(5-methylpyrazin-2-yl)methyl]butanamide (CID 62856187) is 2-bromo-N-[(5-methylpyrazin-2-yl)methyl]butanamide.
What is the SMILES notation for 2-bromo-N-[(5-methylpyrazin-2-yl)methyl]butanamide?
The canonical SMILES for 2-bromo-N-[(5-methylpyrazin-2-yl)methyl]butanamide is CCC(Br)C(=O)NCc1cnc(C)cn1.
What is the InChIKey of 2-bromo-N-[(5-methylpyrazin-2-yl)methyl]butanamide?
The InChIKey is WKRJREIDASSDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-3-9(11)10(15)14-6-8-5-12-7(2)4-13-8/h4-5,9H,3,6H2,1-2H3,(H,14,15).
What are the key properties of 2-bromo-N-[(5-methylpyrazin-2-yl)methyl]butanamide?
2-bromo-N-[(5-methylpyrazin-2-yl)methyl]butanamide has a molecular weight of 272.15 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-methylpyrazin-2-yl)methyl]butanamide is sourced from PubChem (CID 62856187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).