methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-3-carboxylate

C13H20N4O2 — CID 103056712

IUPACmethyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-3-carboxylate
SMILESCCNc1cnc(CN2CCC(C(=O)OC)C2)cn1
InChIInChI=1S/C13H20N4O2/c1-3-14-12-7-15-11(6-16-12)9-17-5-4-10(8-17)13(18)19-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,14,16)
InChIKeyZPYAKVKUVWLHKO-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.90
Rot. Bonds5

About methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-3-carboxylate

methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-3-carboxylate (PubChem CID 103056712) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-3-carboxylate
PubChem CID103056712
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Namemethyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-3-carboxylate
SMILESCCNc1cnc(CN2CCC(C(=O)OC)C2)cn1
InChIInChI=1S/C13H20N4O2/c1-3-14-12-7-15-11(6-16-12)9-17-5-4-10(8-17)13(18)19-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,14,16)
InChIKeyZPYAKVKUVWLHKO-UHFFFAOYSA-N
XLogP0.90
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-3-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

methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-2-carboxylate
CID 103055728
5-[(3-tert-butylpyrrolidin-1-yl)methyl]-N-ethylpyrazin-2-amine
CID 103056836
2-[1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidin-3-yl]ethanol
CID 103056925
N-ethyl-5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-amine
CID 103056396
methyl (3S)-1-[(5-chloropyrazin-2-yl)methyl]piperidine-3-carboxylate
CID 103055325
N-ethyl-5-(piperidin-1-ylmethyl)pyrazin-2-amine
CID 103055450
methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate
CID 142605385
N-methyl-1-[[5-(propylamino)pyrazin-2-yl]methyl]piperidine-4-carboxamide
CID 103056085
N-ethyl-5-[(3-propoxypiperidin-1-yl)methyl]pyrazin-2-amine
CID 103056216
5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylpyrazin-2-amine
CID 103056506
2-[[5-(ethylamino)pyrazin-2-yl]methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 103056725
methyl 1-[(4-ethylphenyl)methyl]pyrrolidine-3-carboxylate
CID 78992354

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-3-carboxylate (CID 103056712) is methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-3-carboxylate is CCNc1cnc(CN2CCC(C(=O)OC)C2)cn1.
What is the InChIKey of methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-3-carboxylate?
The InChIKey is ZPYAKVKUVWLHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-14-12-7-15-11(6-16-12)9-17-5-4-10(8-17)13(18)19-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,14,16).
What are the key properties of methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-3-carboxylate?
methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-3-carboxylate has a molecular weight of 264.33 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 103056712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).