1,4-diacetyl-N-tert-butyl-2,3-dihydropyrazine-5-carboxamide

C13H21N3O3 — CID 11021867

IUPAC1,4-diacetyl-N-tert-butyl-2,3-dihydropyrazine-5-carboxamide
SMILESCC(=O)N1C=C(C(=O)NC(C)(C)C)N(C(C)=O)CC1
InChIInChI=1S/C13H21N3O3/c1-9(17)15-6-7-16(10(2)18)11(8-15)12(19)14-13(3,4)5/h8H,6-7H2,1-5H3,(H,14,19)
InChIKeyBNALYMKSPVNWFP-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.45
Rot. Bonds1

About 1,4-diacetyl-N-tert-butyl-2,3-dihydropyrazine-5-carboxamide

1,4-diacetyl-N-tert-butyl-2,3-dihydropyrazine-5-carboxamide (PubChem CID 11021867) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1,4-diacetyl-N-tert-butyl-2,3-dihydropyrazine-5-carboxamide.

Molecular Properties

Compound Name1,4-diacetyl-N-tert-butyl-2,3-dihydropyrazine-5-carboxamide
PubChem CID11021867
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1,4-diacetyl-N-tert-butyl-2,3-dihydropyrazine-5-carboxamide
SMILESCC(=O)N1C=C(C(=O)NC(C)(C)C)N(C(C)=O)CC1
InChIInChI=1S/C13H21N3O3/c1-9(17)15-6-7-16(10(2)18)11(8-15)12(19)14-13(3,4)5/h8H,6-7H2,1-5H3,(H,14,19)
InChIKeyBNALYMKSPVNWFP-UHFFFAOYSA-N
XLogP0.45
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-diacetyl-N-tert-butyl-2,3-dihydropyrazine-5-carboxamide?
The IUPAC name of 1,4-diacetyl-N-tert-butyl-2,3-dihydropyrazine-5-carboxamide (CID 11021867) is 1,4-diacetyl-N-tert-butyl-2,3-dihydropyrazine-5-carboxamide.
What is the SMILES notation for 1,4-diacetyl-N-tert-butyl-2,3-dihydropyrazine-5-carboxamide?
The canonical SMILES for 1,4-diacetyl-N-tert-butyl-2,3-dihydropyrazine-5-carboxamide is CC(=O)N1C=C(C(=O)NC(C)(C)C)N(C(C)=O)CC1.
What is the InChIKey of 1,4-diacetyl-N-tert-butyl-2,3-dihydropyrazine-5-carboxamide?
The InChIKey is BNALYMKSPVNWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(17)15-6-7-16(10(2)18)11(8-15)12(19)14-13(3,4)5/h8H,6-7H2,1-5H3,(H,14,19).
What are the key properties of 1,4-diacetyl-N-tert-butyl-2,3-dihydropyrazine-5-carboxamide?
1,4-diacetyl-N-tert-butyl-2,3-dihydropyrazine-5-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diacetyl-N-tert-butyl-2,3-dihydropyrazine-5-carboxamide is sourced from PubChem (CID 11021867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).