6-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyrazine-2-carboxylic acid

C11H16N4O3 — CID 66456063

IUPAC6-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyrazine-2-carboxylic acid
SMILESCCN(CC(=O)N(C)C)c1cncc(C(=O)O)n1
InChIInChI=1S/C11H16N4O3/c1-4-15(7-10(16)14(2)3)9-6-12-5-8(13-9)11(17)18/h5-6H,4,7H2,1-3H3,(H,17,18)
InChIKeyXXHWSSDCSIHORC-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.09
Rot. Bonds5

About 6-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyrazine-2-carboxylic acid

6-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyrazine-2-carboxylic acid (PubChem CID 66456063) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyrazine-2-carboxylic acid
PubChem CID66456063
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name6-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyrazine-2-carboxylic acid
SMILESCCN(CC(=O)N(C)C)c1cncc(C(=O)O)n1
InChIInChI=1S/C11H16N4O3/c1-4-15(7-10(16)14(2)3)9-6-12-5-8(13-9)11(17)18/h5-6H,4,7H2,1-3H3,(H,17,18)
InChIKeyXXHWSSDCSIHORC-UHFFFAOYSA-N
XLogP0.09
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyrazine-2-carboxylic acid (CID 66456063) is 6-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyrazine-2-carboxylic acid is CCN(CC(=O)N(C)C)c1cncc(C(=O)O)n1.
What is the InChIKey of 6-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyrazine-2-carboxylic acid?
The InChIKey is XXHWSSDCSIHORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-4-15(7-10(16)14(2)3)9-6-12-5-8(13-9)11(17)18/h5-6H,4,7H2,1-3H3,(H,17,18).
What are the key properties of 6-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyrazine-2-carboxylic acid?
6-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyrazine-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 66456063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).