(2S,4R)-4-amino-N,N-diethyl-1-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]pyrrolidine-2-carboxamide

C18H28N6O2 — CID 70755837

IUPAC(2S,4R)-4-amino-N,N-diethyl-1-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1c1cncc(C(=O)N2CCCC2)n1
InChIInChI=1S/C18H28N6O2/c1-3-22(4-2)18(26)15-9-13(19)12-24(15)16-11-20-10-14(21-16)17(25)23-7-5-6-8-23/h10-11,13,15H,3-9,12,19H2,1-2H3/t13-,15+/m1/s1
InChIKeyMWKFJIZGDFMXEX-HIFRSBDPSA-N
MW360.46 g/mol
LogP0.49
Rot. Bonds5

About (2S,4R)-4-amino-N,N-diethyl-1-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]pyrrolidine-2-carboxamide

(2S,4R)-4-amino-N,N-diethyl-1-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 70755837) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is (2S,4R)-4-amino-N,N-diethyl-1-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-N,N-diethyl-1-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]pyrrolidine-2-carboxamide
PubChem CID70755837
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Name(2S,4R)-4-amino-N,N-diethyl-1-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1c1cncc(C(=O)N2CCCC2)n1
InChIInChI=1S/C18H28N6O2/c1-3-22(4-2)18(26)15-9-13(19)12-24(15)16-11-20-10-14(21-16)17(25)23-7-5-6-8-23/h10-11,13,15H,3-9,12,19H2,1-2H3/t13-,15+/m1/s1
InChIKeyMWKFJIZGDFMXEX-HIFRSBDPSA-N
XLogP0.49
TPSA95.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S,4R)-4-amino-N,N-diethyl-1-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]pyrrolidine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

piperidin-1-yl-(6-piperidin-1-ylpyrazin-2-yl)methanone
CID 165345728
[6-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 124814484
[6-[(3aS,7aR)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 133130425
(2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxamide
CID 56704197
[6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone
CID 133131207
[6-[(6S)-4-butyl-6-hydroxy-1,4-diazepan-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 99994199
pyrrolidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrazin-2-yl]methanone
CID 56864446
[6-[(4R)-4-aminoazepan-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 95725216
(6-chloropyrazin-2-yl)-(4-ethylpiperidin-1-yl)methanone
CID 106551174
5-(azepane-1-carbonyl)-N,N-diethylpyridine-3-carboxamide
CID 109106739
(2S,4S)-4-amino-N,N-diethyl-1-(2-methoxypyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
CID 56720191
N,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide
CID 74232620

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-N,N-diethyl-1-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-N,N-diethyl-1-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]pyrrolidine-2-carboxamide (CID 70755837) is (2S,4R)-4-amino-N,N-diethyl-1-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-N,N-diethyl-1-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-N,N-diethyl-1-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1c1cncc(C(=O)N2CCCC2)n1.
What is the InChIKey of (2S,4R)-4-amino-N,N-diethyl-1-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is MWKFJIZGDFMXEX-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-3-22(4-2)18(26)15-9-13(19)12-24(15)16-11-20-10-14(21-16)17(25)23-7-5-6-8-23/h10-11,13,15H,3-9,12,19H2,1-2H3/t13-,15+/m1/s1.
What are the key properties of (2S,4R)-4-amino-N,N-diethyl-1-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]pyrrolidine-2-carboxamide?
(2S,4R)-4-amino-N,N-diethyl-1-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-N,N-diethyl-1-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 70755837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).