4-(5-bromopyrazin-2-yl)but-3-enamide

C8H8BrN3O — CID 170798931

IUPAC4-(5-bromopyrazin-2-yl)but-3-enamide
SMILESNC(=O)CC=Cc1cnc(Br)cn1
InChIInChI=1S/C8H8BrN3O/c9-7-5-11-6(4-12-7)2-1-3-8(10)13/h1-2,4-5H,3H2,(H2,10,13)
InChIKeyKFBYZGVRZFGHLW-UHFFFAOYSA-N
MW242.08 g/mol
LogP1.13
Rot. Bonds3

About 4-(5-bromopyrazin-2-yl)but-3-enamide

4-(5-bromopyrazin-2-yl)but-3-enamide (PubChem CID 170798931) has the molecular formula C8H8BrN3O and a molecular weight of 242.08 g/mol. Its IUPAC name is 4-(5-bromopyrazin-2-yl)but-3-enamide.

Molecular Properties

Compound Name4-(5-bromopyrazin-2-yl)but-3-enamide
PubChem CID170798931
Molecular FormulaC8H8BrN3O
Molecular Weight242.08 g/mol
Exact Mass240.99
IUPAC Name4-(5-bromopyrazin-2-yl)but-3-enamide
SMILESNC(=O)CC=Cc1cnc(Br)cn1
InChIInChI=1S/C8H8BrN3O/c9-7-5-11-6(4-12-7)2-1-3-8(10)13/h1-2,4-5H,3H2,(H2,10,13)
InChIKeyKFBYZGVRZFGHLW-UHFFFAOYSA-N
XLogP1.13
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (E)-3-(5-bromopyrazin-2-yl)prop-2-enoate
CID 53259408
4-pyridin-2-ylbut-3-enamide
CID 170797301
4-(2-amino-1,3-thiazol-5-yl)but-3-enamide
CID 170797289
methyl 3-amino-6-(4-amino-4-oxobut-1-enyl)pyrazine-2-carboxylate
CID 170798601
4-(6-methylpyrazin-2-yl)but-3-enamide
CID 170797338
4-(6-chloro-3-pyridinyl)but-3-enamide
CID 170797349
4-[2-(methylamino)pyrimidin-5-yl]but-3-enamide
CID 170797688
4-(2-methyl-1H-imidazol-5-yl)but-3-enamide
CID 170797295
4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enamide
CID 170797876
4-(6-acetyl-2-pyridinyl)but-3-enamide
CID 170798002
4-(2-methylsulfonyl-4-pyridinyl)but-3-enamide
CID 68521900
4-(4-nitro-2-pyridinyl)but-3-enamide
CID 170797871

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromopyrazin-2-yl)but-3-enamide?
The IUPAC name of 4-(5-bromopyrazin-2-yl)but-3-enamide (CID 170798931) is 4-(5-bromopyrazin-2-yl)but-3-enamide.
What is the SMILES notation for 4-(5-bromopyrazin-2-yl)but-3-enamide?
The canonical SMILES for 4-(5-bromopyrazin-2-yl)but-3-enamide is NC(=O)CC=Cc1cnc(Br)cn1.
What is the InChIKey of 4-(5-bromopyrazin-2-yl)but-3-enamide?
The InChIKey is KFBYZGVRZFGHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O/c9-7-5-11-6(4-12-7)2-1-3-8(10)13/h1-2,4-5H,3H2,(H2,10,13).
What are the key properties of 4-(5-bromopyrazin-2-yl)but-3-enamide?
4-(5-bromopyrazin-2-yl)but-3-enamide has a molecular weight of 242.08 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromopyrazin-2-yl)but-3-enamide is sourced from PubChem (CID 170798931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).