2-(4-fluorophenoxy)-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]acetamide

C17H19FN4O3 — CID 53185607

IUPAC2-(4-fluorophenoxy)-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]acetamide
SMILESCOc1nccnc1N1CCC(NC(=O)COc2ccc(F)cc2)C1
InChIInChI=1S/C17H19FN4O3/c1-24-17-16(19-7-8-20-17)22-9-6-13(10-22)21-15(23)11-25-14-4-2-12(18)3-5-14/h2-5,7-8,13H,6,9-11H2,1H3,(H,21,23)
InChIKeyDSOGHJWEEOHLBD-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.40
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]acetamide

2-(4-fluorophenoxy)-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]acetamide (PubChem CID 53185607) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]acetamide
PubChem CID53185607
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name2-(4-fluorophenoxy)-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]acetamide
SMILESCOc1nccnc1N1CCC(NC(=O)COc2ccc(F)cc2)C1
InChIInChI=1S/C17H19FN4O3/c1-24-17-16(19-7-8-20-17)22-9-6-13(10-22)21-15(23)11-25-14-4-2-12(18)3-5-14/h2-5,7-8,13H,6,9-11H2,1H3,(H,21,23)
InChIKeyDSOGHJWEEOHLBD-UHFFFAOYSA-N
XLogP1.40
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]acetamide (CID 53185607) is 2-(4-fluorophenoxy)-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]acetamide is COc1nccnc1N1CCC(NC(=O)COc2ccc(F)cc2)C1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is DSOGHJWEEOHLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-24-17-16(19-7-8-20-17)22-9-6-13(10-22)21-15(23)11-25-14-4-2-12(18)3-5-14/h2-5,7-8,13H,6,9-11H2,1H3,(H,21,23).
What are the key properties of 2-(4-fluorophenoxy)-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]acetamide?
2-(4-fluorophenoxy)-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 346.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 53185607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).