N-ethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide

C12H20N4O2 — CID 55155071

IUPACN-ethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide
SMILESCCNC(=O)CNc1nccn(CC(C)C)c1=O
InChIInChI=1S/C12H20N4O2/c1-4-13-10(17)7-15-11-12(18)16(6-5-14-11)8-9(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,13,17)(H,14,15)
InChIKeyOPZAHQPIEGCCSE-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.45
Rot. Bonds6

About N-ethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide

N-ethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide (PubChem CID 55155071) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-ethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide
PubChem CID55155071
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-ethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide
SMILESCCNC(=O)CNc1nccn(CC(C)C)c1=O
InChIInChI=1S/C12H20N4O2/c1-4-13-10(17)7-15-11-12(18)16(6-5-14-11)8-9(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,13,17)(H,14,15)
InChIKeyOPZAHQPIEGCCSE-UHFFFAOYSA-N
XLogP0.45
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide?
The IUPAC name of N-ethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide (CID 55155071) is N-ethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide is CCNC(=O)CNc1nccn(CC(C)C)c1=O.
What is the InChIKey of N-ethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide?
The InChIKey is OPZAHQPIEGCCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-13-10(17)7-15-11-12(18)16(6-5-14-11)8-9(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,13,17)(H,14,15).
What are the key properties of N-ethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide?
N-ethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide has a molecular weight of 252.32 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide is sourced from PubChem (CID 55155071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).