2-[2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide

C16H17ClN4O2 — CID 110270026

IUPAC2-[2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
SMILESNC(=O)CN1CCCC1c1cncc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H17ClN4O2/c17-11-3-5-12(6-4-11)23-16-9-19-8-13(20-16)14-2-1-7-21(14)10-15(18)22/h3-6,8-9,14H,1-2,7,10H2,(H2,18,22)
InChIKeyLFGKJKIOFHUFEN-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.54
Rot. Bonds5

About 2-[2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide

2-[2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide (PubChem CID 110270026) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-[2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
PubChem CID110270026
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name2-[2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
SMILESNC(=O)CN1CCCC1c1cncc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H17ClN4O2/c17-11-3-5-12(6-4-11)23-16-9-19-8-13(20-16)14-2-1-7-21(14)10-15(18)22/h3-6,8-9,14H,1-2,7,10H2,(H2,18,22)
InChIKeyLFGKJKIOFHUFEN-UHFFFAOYSA-N
XLogP2.54
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-2-[6-(4-methoxyphenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 95843435
2-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]acetamide
CID 95821390
[(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95843583
[(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 95843678
[(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95843794
[(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 95843939
2-phenoxy-6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 110256256
2-[(2S)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 124991443
2-(4-methoxyphenoxy)-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 95843466
2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-(4-methoxyphenoxy)pyrazine
CID 95844172
1-[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 110270195
2-[(2S)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 95842898

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide (CID 110270026) is 2-[2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide is NC(=O)CN1CCCC1c1cncc(Oc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide?
The InChIKey is LFGKJKIOFHUFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-11-3-5-12(6-4-11)23-16-9-19-8-13(20-16)14-2-1-7-21(14)10-15(18)22/h3-6,8-9,14H,1-2,7,10H2,(H2,18,22).
What are the key properties of 2-[2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide?
2-[2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide has a molecular weight of 332.79 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 110270026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).