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

C12H20N4O2 — CID 55155069

IUPACN-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nccn(CC(C)C)c1=O
InChIInChI=1S/C12H20N4O2/c1-9(2)8-16-7-6-15-11(12(16)18)14-5-4-13-10(3)17/h6-7,9H,4-5,8H2,1-3H3,(H,13,17)(H,14,15)
InChIKeyXCSASGQONHYEKY-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.45
Rot. Bonds6

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

N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide (PubChem CID 55155069) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide
PubChem CID55155069
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nccn(CC(C)C)c1=O
InChIInChI=1S/C12H20N4O2/c1-9(2)8-16-7-6-15-11(12(16)18)14-5-4-13-10(3)17/h6-7,9H,4-5,8H2,1-3H3,(H,13,17)(H,14,15)
InChIKeyXCSASGQONHYEKY-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

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62927277
N-tert-butyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide
CID 115883760
1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one
CID 62940519
3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 107816214
N-cyclopropyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide
CID 79394717
1-(2-methylpropyl)-3-(3-methylsulfonylpropylamino)pyrazin-2-one
CID 55157563
1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 62938964
3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 106185827
1-(2-methylpropyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazin-2-one
CID 115765269
3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 115883841
3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938830
3-[3-(cyclopropylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62928309

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide (CID 55155069) is N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide is CC(=O)NCCNc1nccn(CC(C)C)c1=O.
What is the InChIKey of N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide?
The InChIKey is XCSASGQONHYEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(2)8-16-7-6-15-11(12(16)18)14-5-4-13-10(3)17/h6-7,9H,4-5,8H2,1-3H3,(H,13,17)(H,14,15).
What are the key properties of N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide?
N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]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-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide is sourced from PubChem (CID 55155069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).