3-(2-ethylhexanoylamino)pyrazine-2-carboxylic acid

C13H19N3O3 — CID 55169185

IUPAC3-(2-ethylhexanoylamino)pyrazine-2-carboxylic acid
SMILESCCCCC(CC)C(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C13H19N3O3/c1-3-5-6-9(4-2)12(17)16-11-10(13(18)19)14-7-8-15-11/h7-9H,3-6H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyPOJZMWNNSUTGDP-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.33
Rot. Bonds7

About 3-(2-ethylhexanoylamino)pyrazine-2-carboxylic acid

3-(2-ethylhexanoylamino)pyrazine-2-carboxylic acid (PubChem CID 55169185) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(2-ethylhexanoylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-ethylhexanoylamino)pyrazine-2-carboxylic acid
PubChem CID55169185
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-(2-ethylhexanoylamino)pyrazine-2-carboxylic acid
SMILESCCCCC(CC)C(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C13H19N3O3/c1-3-5-6-9(4-2)12(17)16-11-10(13(18)19)14-7-8-15-11/h7-9H,3-6H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyPOJZMWNNSUTGDP-UHFFFAOYSA-N
XLogP2.33
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexanoylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(2-ethylhexanoylamino)pyrazine-2-carboxylic acid (CID 55169185) is 3-(2-ethylhexanoylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(2-ethylhexanoylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(2-ethylhexanoylamino)pyrazine-2-carboxylic acid is CCCCC(CC)C(=O)Nc1nccnc1C(=O)O.
What is the InChIKey of 3-(2-ethylhexanoylamino)pyrazine-2-carboxylic acid?
The InChIKey is POJZMWNNSUTGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-5-6-9(4-2)12(17)16-11-10(13(18)19)14-7-8-15-11/h7-9H,3-6H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 3-(2-ethylhexanoylamino)pyrazine-2-carboxylic acid?
3-(2-ethylhexanoylamino)pyrazine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexanoylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 55169185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).