tert-butyl 6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C14H22N4O4 — CID 103398232

IUPACtert-butyl 6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCN1C(=O)CC(NC2=NCCN(C(=O)OC(C)(C)C)C2)C1=O
InChIInChI=1S/C14H22N4O4/c1-14(2,3)22-13(21)18-6-5-15-10(8-18)16-9-7-11(19)17(4)12(9)20/h9H,5-8H2,1-4H3,(H,15,16)
InChIKeyHVFGJRQWBMYQBH-UHFFFAOYSA-N
MW310.35 g/mol
LogP-0.02
Rot. Bonds1

About tert-butyl 6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398232) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is tert-butyl 6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398232
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Nametert-butyl 6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCN1C(=O)CC(NC2=NCCN(C(=O)OC(C)(C)C)C2)C1=O
InChIInChI=1S/C14H22N4O4/c1-14(2,3)22-13(21)18-6-5-15-10(8-18)16-9-7-11(19)17(4)12(9)20/h9H,5-8H2,1-4H3,(H,15,16)
InChIKeyHVFGJRQWBMYQBH-UHFFFAOYSA-N
XLogP-0.02
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 6-[(1-methylpyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398021
tert-butyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398023
tert-butyl 6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398025
tert-butyl 6-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398035
tert-butyl 6-[[1-oxo-1-(propylamino)propan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398037
tert-butyl 6-[(5-oxopyrrolidin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398190
tert-butyl 6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398322
tert-butyl 6-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398324
tert-butyl 6-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398330
tert-butyl 6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398332
tert-butyl 6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398336
tert-butyl 6-[(4-amino-4-oxobutan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398394

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398232) is tert-butyl 6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CN1C(=O)CC(NC2=NCCN(C(=O)OC(C)(C)C)C2)C1=O.
What is the InChIKey of tert-butyl 6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is HVFGJRQWBMYQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-14(2,3)22-13(21)18-6-5-15-10(8-18)16-9-7-11(19)17(4)12(9)20/h9H,5-8H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl 6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 310.35 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).