5,6-bis(ethenyl)-N-methyl-N-(2-oxoethyl)pyrazine-2-carboxamide;methanol

C13H17N3O3 — CID 143297210

IUPAC5,6-bis(ethenyl)-N-methyl-N-(2-oxoethyl)pyrazine-2-carboxamide;methanol
SMILESC=Cc1ncc(C(=O)N(C)CC=O)nc1C=C.CO
InChIInChI=1S/C12H13N3O2.CH4O/c1-4-9-10(5-2)14-11(8-13-9)12(17)15(3)6-7-16;1-2/h4-5,7-8H,1-2,6H2,3H3;2H,1H3
InChIKeyLECHAJOTEROCEU-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.64
Rot. Bonds5

About 5,6-bis(ethenyl)-N-methyl-N-(2-oxoethyl)pyrazine-2-carboxamide;methanol

5,6-bis(ethenyl)-N-methyl-N-(2-oxoethyl)pyrazine-2-carboxamide;methanol (PubChem CID 143297210) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-N-methyl-N-(2-oxoethyl)pyrazine-2-carboxamide;methanol.

Molecular Properties

Compound Name5,6-bis(ethenyl)-N-methyl-N-(2-oxoethyl)pyrazine-2-carboxamide;methanol
PubChem CID143297210
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name5,6-bis(ethenyl)-N-methyl-N-(2-oxoethyl)pyrazine-2-carboxamide;methanol
SMILESC=Cc1ncc(C(=O)N(C)CC=O)nc1C=C.CO
InChIInChI=1S/C12H13N3O2.CH4O/c1-4-9-10(5-2)14-11(8-13-9)12(17)15(3)6-7-16;1-2/h4-5,7-8H,1-2,6H2,3H3;2H,1H3
InChIKeyLECHAJOTEROCEU-UHFFFAOYSA-N
XLogP0.64
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)-N-methyl-N-(2-oxoethyl)pyrazine-2-carboxamide;methanol?
The IUPAC name of 5,6-bis(ethenyl)-N-methyl-N-(2-oxoethyl)pyrazine-2-carboxamide;methanol (CID 143297210) is 5,6-bis(ethenyl)-N-methyl-N-(2-oxoethyl)pyrazine-2-carboxamide;methanol.
What is the SMILES notation for 5,6-bis(ethenyl)-N-methyl-N-(2-oxoethyl)pyrazine-2-carboxamide;methanol?
The canonical SMILES for 5,6-bis(ethenyl)-N-methyl-N-(2-oxoethyl)pyrazine-2-carboxamide;methanol is C=Cc1ncc(C(=O)N(C)CC=O)nc1C=C.CO.
What is the InChIKey of 5,6-bis(ethenyl)-N-methyl-N-(2-oxoethyl)pyrazine-2-carboxamide;methanol?
The InChIKey is LECHAJOTEROCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2.CH4O/c1-4-9-10(5-2)14-11(8-13-9)12(17)15(3)6-7-16;1-2/h4-5,7-8H,1-2,6H2,3H3;2H,1H3.
What are the key properties of 5,6-bis(ethenyl)-N-methyl-N-(2-oxoethyl)pyrazine-2-carboxamide;methanol?
5,6-bis(ethenyl)-N-methyl-N-(2-oxoethyl)pyrazine-2-carboxamide;methanol has a molecular weight of 263.30 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)-N-methyl-N-(2-oxoethyl)pyrazine-2-carboxamide;methanol is sourced from PubChem (CID 143297210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).