[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate

C11H14N4O4 — CID 9196711

IUPAC[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESCN(C)C(=O)CNC(=O)COC(=O)c1cnccn1
InChIInChI=1S/C11H14N4O4/c1-15(2)10(17)6-14-9(16)7-19-11(18)8-5-12-3-4-13-8/h3-5H,6-7H2,1-2H3,(H,14,16)
InChIKeyMKLSFMVTAYDKHG-UHFFFAOYSA-N
MW266.26 g/mol
LogP-1.16
Rot. Bonds5

About [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate

[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 9196711) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID9196711
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESCN(C)C(=O)CNC(=O)COC(=O)c1cnccn1
InChIInChI=1S/C11H14N4O4/c1-15(2)10(17)6-14-9(16)7-19-11(18)8-5-12-3-4-13-8/h3-5H,6-7H2,1-2H3,(H,14,16)
InChIKeyMKLSFMVTAYDKHG-UHFFFAOYSA-N
XLogP-1.16
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methoxyethylamino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7702375
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196552
[2-(2-cyanoethylamino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7985513
[2-[4-(dimethylamino)anilino]-2-oxoethyl] pyrazine-2-carboxylate
CID 5035630
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196523
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196541
ethyl pyrazine-2-carboxylate;dihydrochloride
CID 141471889
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196545
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196665
[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196636
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] pyrazine-2-carboxylate
CID 2628622
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228996

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate (CID 9196711) is [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate is CN(C)C(=O)CNC(=O)COC(=O)c1cnccn1.
What is the InChIKey of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is MKLSFMVTAYDKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-15(2)10(17)6-14-9(16)7-19-11(18)8-5-12-3-4-13-8/h3-5H,6-7H2,1-2H3,(H,14,16).
What are the key properties of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 266.26 g/mol, XLogP of -1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 9196711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).