N-(3,5-dibromopyrazin-2-yl)-2-methyl-2-[2-(oxan-4-yl)ethylamino]propanamide

C15H22Br2N4O2 — CID 86696612

IUPACN-(3,5-dibromopyrazin-2-yl)-2-methyl-2-[2-(oxan-4-yl)ethylamino]propanamide
SMILESCC(C)(NCCC1CCOCC1)C(=O)Nc1ncc(Br)nc1Br
InChIInChI=1S/C15H22Br2N4O2/c1-15(2,19-6-3-10-4-7-23-8-5-10)14(22)21-13-12(17)20-11(16)9-18-13/h9-10,19H,3-8H2,1-2H3,(H,18,21,22)
InChIKeyOATJABJAUFZPMP-UHFFFAOYSA-N
MW450.18 g/mol
LogP3.12
Rot. Bonds6

About N-(3,5-dibromopyrazin-2-yl)-2-methyl-2-[2-(oxan-4-yl)ethylamino]propanamide

N-(3,5-dibromopyrazin-2-yl)-2-methyl-2-[2-(oxan-4-yl)ethylamino]propanamide (PubChem CID 86696612) has the molecular formula C15H22Br2N4O2 and a molecular weight of 450.18 g/mol. Its IUPAC name is N-(3,5-dibromopyrazin-2-yl)-2-methyl-2-[2-(oxan-4-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(3,5-dibromopyrazin-2-yl)-2-methyl-2-[2-(oxan-4-yl)ethylamino]propanamide
PubChem CID86696612
Molecular FormulaC15H22Br2N4O2
Molecular Weight450.18 g/mol
Exact Mass448.01
IUPAC NameN-(3,5-dibromopyrazin-2-yl)-2-methyl-2-[2-(oxan-4-yl)ethylamino]propanamide
SMILESCC(C)(NCCC1CCOCC1)C(=O)Nc1ncc(Br)nc1Br
InChIInChI=1S/C15H22Br2N4O2/c1-15(2,19-6-3-10-4-7-23-8-5-10)14(22)21-13-12(17)20-11(16)9-18-13/h9-10,19H,3-8H2,1-2H3,(H,18,21,22)
InChIKeyOATJABJAUFZPMP-UHFFFAOYSA-N
XLogP3.12
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.18
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromopyrazin-2-yl)-2-methyl-2-[2-(oxan-4-yl)ethylamino]propanamide?
The IUPAC name of N-(3,5-dibromopyrazin-2-yl)-2-methyl-2-[2-(oxan-4-yl)ethylamino]propanamide (CID 86696612) is N-(3,5-dibromopyrazin-2-yl)-2-methyl-2-[2-(oxan-4-yl)ethylamino]propanamide.
What is the SMILES notation for N-(3,5-dibromopyrazin-2-yl)-2-methyl-2-[2-(oxan-4-yl)ethylamino]propanamide?
The canonical SMILES for N-(3,5-dibromopyrazin-2-yl)-2-methyl-2-[2-(oxan-4-yl)ethylamino]propanamide is CC(C)(NCCC1CCOCC1)C(=O)Nc1ncc(Br)nc1Br.
What is the InChIKey of N-(3,5-dibromopyrazin-2-yl)-2-methyl-2-[2-(oxan-4-yl)ethylamino]propanamide?
The InChIKey is OATJABJAUFZPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Br2N4O2/c1-15(2,19-6-3-10-4-7-23-8-5-10)14(22)21-13-12(17)20-11(16)9-18-13/h9-10,19H,3-8H2,1-2H3,(H,18,21,22).
What are the key properties of N-(3,5-dibromopyrazin-2-yl)-2-methyl-2-[2-(oxan-4-yl)ethylamino]propanamide?
N-(3,5-dibromopyrazin-2-yl)-2-methyl-2-[2-(oxan-4-yl)ethylamino]propanamide has a molecular weight of 450.18 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromopyrazin-2-yl)-2-methyl-2-[2-(oxan-4-yl)ethylamino]propanamide is sourced from PubChem (CID 86696612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).