4-amino-N-(3,5-dibromopyrazin-2-yl)-4-methylpentanamide

C10H14Br2N4O — CID 114074171

IUPAC4-amino-N-(3,5-dibromopyrazin-2-yl)-4-methylpentanamide
SMILESCC(C)(N)CCC(=O)Nc1ncc(Br)nc1Br
InChIInChI=1S/C10H14Br2N4O/c1-10(2,13)4-3-7(17)16-9-8(12)15-6(11)5-14-9/h5H,3-4,13H2,1-2H3,(H,14,16,17)
InChIKeyOJFPQKNAAOSFBD-UHFFFAOYSA-N
MW366.06 g/mol
LogP2.46
Rot. Bonds4

About 4-amino-N-(3,5-dibromopyrazin-2-yl)-4-methylpentanamide

4-amino-N-(3,5-dibromopyrazin-2-yl)-4-methylpentanamide (PubChem CID 114074171) has the molecular formula C10H14Br2N4O and a molecular weight of 366.06 g/mol. Its IUPAC name is 4-amino-N-(3,5-dibromopyrazin-2-yl)-4-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-(3,5-dibromopyrazin-2-yl)-4-methylpentanamide
PubChem CID114074171
Molecular FormulaC10H14Br2N4O
Molecular Weight366.06 g/mol
Exact Mass363.95
IUPAC Name4-amino-N-(3,5-dibromopyrazin-2-yl)-4-methylpentanamide
SMILESCC(C)(N)CCC(=O)Nc1ncc(Br)nc1Br
InChIInChI=1S/C10H14Br2N4O/c1-10(2,13)4-3-7(17)16-9-8(12)15-6(11)5-14-9/h5H,3-4,13H2,1-2H3,(H,14,16,17)
InChIKeyOJFPQKNAAOSFBD-UHFFFAOYSA-N
XLogP2.46
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.06
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,5-dibromopyrazin-2-yl)-4-methylpentanamide?
The IUPAC name of 4-amino-N-(3,5-dibromopyrazin-2-yl)-4-methylpentanamide (CID 114074171) is 4-amino-N-(3,5-dibromopyrazin-2-yl)-4-methylpentanamide.
What is the SMILES notation for 4-amino-N-(3,5-dibromopyrazin-2-yl)-4-methylpentanamide?
The canonical SMILES for 4-amino-N-(3,5-dibromopyrazin-2-yl)-4-methylpentanamide is CC(C)(N)CCC(=O)Nc1ncc(Br)nc1Br.
What is the InChIKey of 4-amino-N-(3,5-dibromopyrazin-2-yl)-4-methylpentanamide?
The InChIKey is OJFPQKNAAOSFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N4O/c1-10(2,13)4-3-7(17)16-9-8(12)15-6(11)5-14-9/h5H,3-4,13H2,1-2H3,(H,14,16,17).
What are the key properties of 4-amino-N-(3,5-dibromopyrazin-2-yl)-4-methylpentanamide?
4-amino-N-(3,5-dibromopyrazin-2-yl)-4-methylpentanamide has a molecular weight of 366.06 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,5-dibromopyrazin-2-yl)-4-methylpentanamide is sourced from PubChem (CID 114074171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).