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

C14H24N4O3 — CID 106258143

IUPACtert-butyl 6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCN1CCC(NC2=NCCN(C(=O)OC(C)(C)C)C2)C1=O
InChIInChI=1S/C14H24N4O3/c1-14(2,3)21-13(20)18-8-6-15-11(9-18)16-10-5-7-17(4)12(10)19/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyUNBIQZUIWCUCNU-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.46
Rot. Bonds1

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

tert-butyl 6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 106258143) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl 6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID106258143
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Nametert-butyl 6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCN1CCC(NC2=NCCN(C(=O)OC(C)(C)C)C2)C1=O
InChIInChI=1S/C14H24N4O3/c1-14(2,3)21-13(20)18-8-6-15-11(9-18)16-10-5-7-17(4)12(10)19/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyUNBIQZUIWCUCNU-UHFFFAOYSA-N
XLogP0.46
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 2-(aminomethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 57908096
Tert-butyl 2-carbamoyl-3-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d]imidazole-5-carboxylate
CID 163781550
tert-butyl 6-[(1-amino-1-oxopropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397931
tert-butyl 6-[[2-oxo-2-(propylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397938
tert-butyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397939
tert-butyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397940
tert-butyl 6-[(4-amino-4-oxobutyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397950
tert-butyl 6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397973
tert-butyl 6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397999
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 106258143) is tert-butyl 6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CN1CCC(NC2=NCCN(C(=O)OC(C)(C)C)C2)C1=O.
What is the InChIKey of tert-butyl 6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is UNBIQZUIWCUCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-14(2,3)21-13(20)18-8-6-15-11(9-18)16-10-5-7-17(4)12(10)19/h10H,5-9H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl 6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 106258143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).