N-[2-[(5-bromo-3-methoxypyrazin-2-yl)amino]ethyl]acetamide

C9H13BrN4O2 — CID 156822535

IUPACN-[2-[(5-bromo-3-methoxypyrazin-2-yl)amino]ethyl]acetamide
SMILESCOc1nc(Br)cnc1NCCNC(C)=O
InChIInChI=1S/C9H13BrN4O2/c1-6(15)11-3-4-12-8-9(16-2)14-7(10)5-13-8/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyDPZXTRMIWZVNMV-UHFFFAOYSA-N
MW289.13 g/mol
LogP0.80
Rot. Bonds5

About N-[2-[(5-bromo-3-methoxypyrazin-2-yl)amino]ethyl]acetamide

N-[2-[(5-bromo-3-methoxypyrazin-2-yl)amino]ethyl]acetamide (PubChem CID 156822535) has the molecular formula C9H13BrN4O2 and a molecular weight of 289.13 g/mol. Its IUPAC name is N-[2-[(5-bromo-3-methoxypyrazin-2-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-bromo-3-methoxypyrazin-2-yl)amino]ethyl]acetamide
PubChem CID156822535
Molecular FormulaC9H13BrN4O2
Molecular Weight289.13 g/mol
Exact Mass288.02
IUPAC NameN-[2-[(5-bromo-3-methoxypyrazin-2-yl)amino]ethyl]acetamide
SMILESCOc1nc(Br)cnc1NCCNC(C)=O
InChIInChI=1S/C9H13BrN4O2/c1-6(15)11-3-4-12-8-9(16-2)14-7(10)5-13-8/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyDPZXTRMIWZVNMV-UHFFFAOYSA-N
XLogP0.80
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 22141713
N-[2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 106875503
tert-butyl 3-[(5-bromo-3-methoxypyrazin-2-yl)amino]pyrrolidine-1-carboxylate
CID 167350845
N-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62169539
N-[2-[(5-iodopyrimidin-4-yl)amino]ethyl]acetamide
CID 66340325
N-[2-[(5-aminopyrimidin-4-yl)amino]ethyl]acetamide
CID 79917896
N-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]acetamide
CID 63207920
N-[2-[(6-amino-5-ethylpyrimidin-4-yl)amino]ethyl]acetamide
CID 80788685
1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-one
CID 20823758
N-[4-(2,4-dimethoxypyrimidin-5-yl)but-3-enyl]acetamide
CID 170489028
N-[2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 66281352
N-(5-bromo-3-methoxypyrazin-2-yl)-3,5-dichlorobenzenesulfonamide
CID 10309892

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-3-methoxypyrazin-2-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(5-bromo-3-methoxypyrazin-2-yl)amino]ethyl]acetamide (CID 156822535) is N-[2-[(5-bromo-3-methoxypyrazin-2-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(5-bromo-3-methoxypyrazin-2-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(5-bromo-3-methoxypyrazin-2-yl)amino]ethyl]acetamide is COc1nc(Br)cnc1NCCNC(C)=O.
What is the InChIKey of N-[2-[(5-bromo-3-methoxypyrazin-2-yl)amino]ethyl]acetamide?
The InChIKey is DPZXTRMIWZVNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O2/c1-6(15)11-3-4-12-8-9(16-2)14-7(10)5-13-8/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13).
What are the key properties of N-[2-[(5-bromo-3-methoxypyrazin-2-yl)amino]ethyl]acetamide?
N-[2-[(5-bromo-3-methoxypyrazin-2-yl)amino]ethyl]acetamide has a molecular weight of 289.13 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-3-methoxypyrazin-2-yl)amino]ethyl]acetamide is sourced from PubChem (CID 156822535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).