[2-(2-cyanoethylamino)-2-oxoethyl] pyrazine-2-carboxylate

C10H10N4O3 — CID 7985513

IUPAC[2-(2-cyanoethylamino)-2-oxoethyl] pyrazine-2-carboxylate
SMILESN#CCCNC(=O)COC(=O)c1cnccn1
InChIInChI=1S/C10H10N4O3/c11-2-1-3-14-9(15)7-17-10(16)8-6-12-4-5-13-8/h4-6H,1,3,7H2,(H,14,15)
InChIKeyIEOOWNHJMPPYJZ-UHFFFAOYSA-N
MW234.22 g/mol
LogP-0.34
Rot. Bonds5

About [2-(2-cyanoethylamino)-2-oxoethyl] pyrazine-2-carboxylate

[2-(2-cyanoethylamino)-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 7985513) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is [2-(2-cyanoethylamino)-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(2-cyanoethylamino)-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID7985513
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name[2-(2-cyanoethylamino)-2-oxoethyl] pyrazine-2-carboxylate
SMILESN#CCCNC(=O)COC(=O)c1cnccn1
InChIInChI=1S/C10H10N4O3/c11-2-1-3-14-9(15)7-17-10(16)8-6-12-4-5-13-8/h4-6H,1,3,7H2,(H,14,15)
InChIKeyIEOOWNHJMPPYJZ-UHFFFAOYSA-N
XLogP-0.34
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-cyanoethylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 8634410
[2-(2-methoxyethylamino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7702375
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196711
[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-cyanoethylamino)-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8838112
[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] pyrazine-2-carboxylate
CID 2640712
[2-(4-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7985770
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196665
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196541
[2-(4-carbamoylanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2119071
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196552

Frequently Asked Questions

What is the IUPAC name of [2-(2-cyanoethylamino)-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-(2-cyanoethylamino)-2-oxoethyl] pyrazine-2-carboxylate (CID 7985513) is [2-(2-cyanoethylamino)-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-(2-cyanoethylamino)-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-(2-cyanoethylamino)-2-oxoethyl] pyrazine-2-carboxylate is N#CCCNC(=O)COC(=O)c1cnccn1.
What is the InChIKey of [2-(2-cyanoethylamino)-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is IEOOWNHJMPPYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c11-2-1-3-14-9(15)7-17-10(16)8-6-12-4-5-13-8/h4-6H,1,3,7H2,(H,14,15).
What are the key properties of [2-(2-cyanoethylamino)-2-oxoethyl] pyrazine-2-carboxylate?
[2-(2-cyanoethylamino)-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 234.22 g/mol, XLogP of -0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-cyanoethylamino)-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 7985513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).