benzyl pyrrolidine-1-carboxylate;3,6-diethylpyrazin-2-amine

C20H28N4O2 — CID 142247145

IUPACbenzyl pyrrolidine-1-carboxylate;3,6-diethylpyrazin-2-amine
SMILESCCc1cnc(CC)c(N)n1.O=C(OCc1ccccc1)N1CCCC1
InChIInChI=1S/C12H15NO2.C8H13N3/c14-12(13-8-4-5-9-13)15-10-11-6-2-1-3-7-11;1-3-6-5-10-7(4-2)8(9)11-6/h1-3,6-7H,4-5,8-10H2;5H,3-4H2,1-2H3,(H2,9,11)
InChIKeyNNBKVMQUTUSGOJ-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.60
Rot. Bonds4

About benzyl pyrrolidine-1-carboxylate;3,6-diethylpyrazin-2-amine

benzyl pyrrolidine-1-carboxylate;3,6-diethylpyrazin-2-amine (PubChem CID 142247145) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is benzyl pyrrolidine-1-carboxylate;3,6-diethylpyrazin-2-amine.

Molecular Properties

Compound Namebenzyl pyrrolidine-1-carboxylate;3,6-diethylpyrazin-2-amine
PubChem CID142247145
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Namebenzyl pyrrolidine-1-carboxylate;3,6-diethylpyrazin-2-amine
SMILESCCc1cnc(CC)c(N)n1.O=C(OCc1ccccc1)N1CCCC1
InChIInChI=1S/C12H15NO2.C8H13N3/c14-12(13-8-4-5-9-13)15-10-11-6-2-1-3-7-11;1-3-6-5-10-7(4-2)8(9)11-6/h1-3,6-7H,4-5,8-10H2;5H,3-4H2,1-2H3,(H2,9,11)
InChIKeyNNBKVMQUTUSGOJ-UHFFFAOYSA-N
XLogP3.60
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze benzyl pyrrolidine-1-carboxylate;3,6-diethylpyrazin-2-amine 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

benzyl pyrrolidine-1-carboxylate;5-bromo-3,6-diethylpyrazin-2-amine
CID 142247225
benzyl piperidine-1-carboxylate
CID 158057698
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
(4-aminophenyl)methyl piperidine-1-carboxylate
CID 67586124
benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate
CID 19034142
benzyl 4-propanethioylpiperazine-1-carboxylate
CID 123985918
benzyl 4-ethyl-4-methyl-5-oxoazocane-1-carboxylate
CID 122548069
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxylate
CID 110798888
benzyl (4R)-4-pyrrolidin-1-ylazepane-1-carboxylate
CID 71192780
benzyl 3-(methylamino)piperidine-1-carboxylate
CID 45072221

Frequently Asked Questions

What is the IUPAC name of benzyl pyrrolidine-1-carboxylate;3,6-diethylpyrazin-2-amine?
The IUPAC name of benzyl pyrrolidine-1-carboxylate;3,6-diethylpyrazin-2-amine (CID 142247145) is benzyl pyrrolidine-1-carboxylate;3,6-diethylpyrazin-2-amine.
What is the SMILES notation for benzyl pyrrolidine-1-carboxylate;3,6-diethylpyrazin-2-amine?
The canonical SMILES for benzyl pyrrolidine-1-carboxylate;3,6-diethylpyrazin-2-amine is CCc1cnc(CC)c(N)n1.O=C(OCc1ccccc1)N1CCCC1.
What is the InChIKey of benzyl pyrrolidine-1-carboxylate;3,6-diethylpyrazin-2-amine?
The InChIKey is NNBKVMQUTUSGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.C8H13N3/c14-12(13-8-4-5-9-13)15-10-11-6-2-1-3-7-11;1-3-6-5-10-7(4-2)8(9)11-6/h1-3,6-7H,4-5,8-10H2;5H,3-4H2,1-2H3,(H2,9,11).
What are the key properties of benzyl pyrrolidine-1-carboxylate;3,6-diethylpyrazin-2-amine?
benzyl pyrrolidine-1-carboxylate;3,6-diethylpyrazin-2-amine has a molecular weight of 356.47 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl pyrrolidine-1-carboxylate;3,6-diethylpyrazin-2-amine is sourced from PubChem (CID 142247145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).