[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-methylphenyl)methanone

C17H19N3O3 — CID 90637330

IUPAC[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-methylphenyl)methanone
SMILESCOc1cncc(OC2CCN(C(=O)c3cccc(C)c3)C2)n1
InChIInChI=1S/C17H19N3O3/c1-12-4-3-5-13(8-12)17(21)20-7-6-14(11-20)23-16-10-18-9-15(19-16)22-2/h3-5,8-10,14H,6-7,11H2,1-2H3
InChIKeyKHDKQMOLORSXCO-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.09
Rot. Bonds4

About [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-methylphenyl)methanone

[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-methylphenyl)methanone (PubChem CID 90637330) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-methylphenyl)methanone
PubChem CID90637330
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-methylphenyl)methanone
SMILESCOc1cncc(OC2CCN(C(=O)c3cccc(C)c3)C2)n1
InChIInChI=1S/C17H19N3O3/c1-12-4-3-5-13(8-12)17(21)20-7-6-14(11-20)23-16-10-18-9-15(19-16)22-2/h3-5,8-10,14H,6-7,11H2,1-2H3
InChIKeyKHDKQMOLORSXCO-UHFFFAOYSA-N
XLogP2.09
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-nitrophenyl)methanone
CID 90637364
(3-fluoro-4-methoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 91627040
[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 90637267
(5-bromo-3-pyridinyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 91627007
[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 90637498
(4-ethoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 90637338
[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 90637365
[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
CID 91628208
[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 90637779
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 90637306
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90637305
(2-ethoxyphenyl)-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100613636

Frequently Asked Questions

What is the IUPAC name of [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-methylphenyl)methanone (CID 90637330) is [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-methylphenyl)methanone is COc1cncc(OC2CCN(C(=O)c3cccc(C)c3)C2)n1.
What is the InChIKey of [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-methylphenyl)methanone?
The InChIKey is KHDKQMOLORSXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-4-3-5-13(8-12)17(21)20-7-6-14(11-20)23-16-10-18-9-15(19-16)22-2/h3-5,8-10,14H,6-7,11H2,1-2H3.
What are the key properties of [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-methylphenyl)methanone?
[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-methylphenyl)methanone has a molecular weight of 313.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 90637330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).