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

C17H20N4O3 — CID 95843435

IUPAC2-[(2S)-2-[6-(4-methoxyphenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
SMILESCOc1ccc(Oc2cncc([C@@H]3CCCN3CC(N)=O)n2)cc1
InChIInChI=1S/C17H20N4O3/c1-23-12-4-6-13(7-5-12)24-17-10-19-9-14(20-17)15-3-2-8-21(15)11-16(18)22/h4-7,9-10,15H,2-3,8,11H2,1H3,(H2,18,22)/t15-/m0/s1
InChIKeyQNFPZQMCSDIYQH-HNNXBMFYSA-N
MW328.37 g/mol
LogP1.90
Rot. Bonds6

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

2-[(2S)-2-[6-(4-methoxyphenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide (PubChem CID 95843435) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[(2S)-2-[6-(4-methoxyphenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-[6-(4-methoxyphenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
PubChem CID95843435
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-[(2S)-2-[6-(4-methoxyphenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
SMILESCOc1ccc(Oc2cncc([C@@H]3CCCN3CC(N)=O)n2)cc1
InChIInChI=1S/C17H20N4O3/c1-23-12-4-6-13(7-5-12)24-17-10-19-9-14(20-17)15-3-2-8-21(15)11-16(18)22/h4-7,9-10,15H,2-3,8,11H2,1H3,(H2,18,22)/t15-/m0/s1
InChIKeyQNFPZQMCSDIYQH-HNNXBMFYSA-N
XLogP1.90
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 110270026
2-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]acetamide
CID 95821390
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
2-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide
CID 110256243
2-phenoxy-6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 110256256
2-[(2S)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 95842898
2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetamide
CID 47280768
2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(4-fluorophenoxy)pyrazine
CID 110270220
2-[2-[4-(4-methoxyphenoxy)phenyl]pyrrolidin-1-yl]acetic acid
CID 24845352
[(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95843794
1-[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 110270195

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[6-(4-methoxyphenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[(2S)-2-[6-(4-methoxyphenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide (CID 95843435) is 2-[(2S)-2-[6-(4-methoxyphenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[(2S)-2-[6-(4-methoxyphenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[(2S)-2-[6-(4-methoxyphenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide is COc1ccc(Oc2cncc([C@@H]3CCCN3CC(N)=O)n2)cc1.
What is the InChIKey of 2-[(2S)-2-[6-(4-methoxyphenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide?
The InChIKey is QNFPZQMCSDIYQH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-12-4-6-13(7-5-12)24-17-10-19-9-14(20-17)15-3-2-8-21(15)11-16(18)22/h4-7,9-10,15H,2-3,8,11H2,1H3,(H2,18,22)/t15-/m0/s1.
What are the key properties of 2-[(2S)-2-[6-(4-methoxyphenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide?
2-[(2S)-2-[6-(4-methoxyphenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide has a molecular weight of 328.37 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[6-(4-methoxyphenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95843435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).