4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanamide

C12H20N4O2 — CID 55156027

IUPAC4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanamide
SMILESCC(C)Cn1ccnc(NCCCC(N)=O)c1=O
InChIInChI=1S/C12H20N4O2/c1-9(2)8-16-7-6-15-11(12(16)18)14-5-3-4-10(13)17/h6-7,9H,3-5,8H2,1-2H3,(H2,13,17)(H,14,15)
InChIKeyRJYWUNCHJOLQQX-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.58
Rot. Bonds7

About 4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanamide

4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanamide (PubChem CID 55156027) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanamide.

Molecular Properties

Compound Name4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanamide
PubChem CID55156027
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanamide
SMILESCC(C)Cn1ccnc(NCCCC(N)=O)c1=O
InChIInChI=1S/C12H20N4O2/c1-9(2)8-16-7-6-15-11(12(16)18)14-5-3-4-10(13)17/h6-7,9H,3-5,8H2,1-2H3,(H2,13,17)(H,14,15)
InChIKeyRJYWUNCHJOLQQX-UHFFFAOYSA-N
XLogP0.58
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.58
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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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanamide?
The IUPAC name of 4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanamide (CID 55156027) is 4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanamide.
What is the SMILES notation for 4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanamide?
The canonical SMILES for 4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanamide is CC(C)Cn1ccnc(NCCCC(N)=O)c1=O.
What is the InChIKey of 4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanamide?
The InChIKey is RJYWUNCHJOLQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(2)8-16-7-6-15-11(12(16)18)14-5-3-4-10(13)17/h6-7,9H,3-5,8H2,1-2H3,(H2,13,17)(H,14,15).
What are the key properties of 4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanamide?
4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanamide has a molecular weight of 252.32 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanamide is sourced from PubChem (CID 55156027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).