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

C12H20N4O2 — CID 55156603

IUPACN,N-dimethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide
SMILESCC(C)Cn1ccnc(NCC(=O)N(C)C)c1=O
InChIInChI=1S/C12H20N4O2/c1-9(2)8-16-6-5-13-11(12(16)18)14-7-10(17)15(3)4/h5-6,9H,7-8H2,1-4H3,(H,13,14)
InChIKeyWONJHPQVBFVGRE-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.40
Rot. Bonds5

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

N,N-dimethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide (PubChem CID 55156603) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N,N-dimethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide
PubChem CID55156603
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN,N-dimethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide
SMILESCC(C)Cn1ccnc(NCC(=O)N(C)C)c1=O
InChIInChI=1S/C12H20N4O2/c1-9(2)8-16-6-5-13-11(12(16)18)14-7-10(17)15(3)4/h5-6,9H,7-8H2,1-4H3,(H,13,14)
InChIKeyWONJHPQVBFVGRE-UHFFFAOYSA-N
XLogP0.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide (CID 55156603) is N,N-dimethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide is CC(C)Cn1ccnc(NCC(=O)N(C)C)c1=O.
What is the InChIKey of N,N-dimethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide?
The InChIKey is WONJHPQVBFVGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(2)8-16-6-5-13-11(12(16)18)14-7-10(17)15(3)4/h5-6,9H,7-8H2,1-4H3,(H,13,14).
What are the key properties of N,N-dimethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide?
N,N-dimethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide has a molecular weight of 252.32 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide is sourced from PubChem (CID 55156603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).