N-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide

C13H18N4O4 — CID 100757200

IUPACN-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESCOc1nccnc1O[C@H]1CCN(C(=O)CNC(C)=O)C1
InChIInChI=1S/C13H18N4O4/c1-9(18)16-7-11(19)17-6-3-10(8-17)21-13-12(20-2)14-4-5-15-13/h4-5,10H,3,6-8H2,1-2H3,(H,16,18)/t10-/m0/s1
InChIKeyGOYQKHPZTNEYOD-JTQLQIEISA-N
MW294.31 g/mol
LogP-0.40
Rot. Bonds5

About N-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide

N-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 100757200) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide
PubChem CID100757200
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC NameN-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESCOc1nccnc1O[C@H]1CCN(C(=O)CNC(C)=O)C1
InChIInChI=1S/C13H18N4O4/c1-9(18)16-7-11(19)17-6-3-10(8-17)21-13-12(20-2)14-4-5-15-13/h4-5,10H,3,6-8H2,1-2H3,(H,16,18)/t10-/m0/s1
InChIKeyGOYQKHPZTNEYOD-JTQLQIEISA-N
XLogP-0.40
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,3,3-trifluoro-1-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 100757249
methyl 4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]benzoate
CID 90636853
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 91626934
1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-4-phenylbutan-1-one
CID 100756830
N-benzhydryl-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637150
(3S)-3-(3-methoxypyrazin-2-yl)oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 100612439
1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 90636962
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 100756385
4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]cyclohexan-1-one
CID 90637078
1-[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-3-methylbut-2-en-1-one
CID 91628151
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 100611568
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 100612049

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide (CID 100757200) is N-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide is COc1nccnc1O[C@H]1CCN(C(=O)CNC(C)=O)C1.
What is the InChIKey of N-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is GOYQKHPZTNEYOD-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N4O4/c1-9(18)16-7-11(19)17-6-3-10(8-17)21-13-12(20-2)14-4-5-15-13/h4-5,10H,3,6-8H2,1-2H3,(H,16,18)/t10-/m0/s1.
What are the key properties of N-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide?
N-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 294.31 g/mol, XLogP of -0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 100757200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).