1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone

C17H20N4O2 — CID 127246927

IUPAC1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone
SMILESCNc1cncc(C2CCCN2C(=O)COc2ccccc2)n1
InChIInChI=1S/C17H20N4O2/c1-18-16-11-19-10-14(20-16)15-8-5-9-21(15)17(22)12-23-13-6-3-2-4-7-13/h2-4,6-7,10-11,15H,5,8-9,12H2,1H3,(H,18,20)
InChIKeyFZFHATIVAXMGGH-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.26
Rot. Bonds5

About 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone

1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone (PubChem CID 127246927) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone
PubChem CID127246927
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone
SMILESCNc1cncc(C2CCCN2C(=O)COc2ccccc2)n1
InChIInChI=1S/C17H20N4O2/c1-18-16-11-19-10-14(20-16)15-8-5-9-21(15)17(22)12-23-13-6-3-2-4-7-13/h2-4,6-7,10-11,15H,5,8-9,12H2,1H3,(H,18,20)
InChIKeyFZFHATIVAXMGGH-UHFFFAOYSA-N
XLogP2.26
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-fluorophenyl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 127246974
1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 125009614
(E)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 175652538
1-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
CID 110096335
3-(1H-indol-3-yl)-1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 125009412
1-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 124986769
2-(3-fluorophenoxy)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124957065
2-(2,6-dimethylphenoxy)-1-[(2S)-2-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 124976398
2-phenoxy-1-[(2R)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95837637
[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 127246960
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 127246993
2-phenoxy-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95813317

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone (CID 127246927) is 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone is CNc1cncc(C2CCCN2C(=O)COc2ccccc2)n1.
What is the InChIKey of 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone?
The InChIKey is FZFHATIVAXMGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-18-16-11-19-10-14(20-16)15-8-5-9-21(15)17(22)12-23-13-6-3-2-4-7-13/h2-4,6-7,10-11,15H,5,8-9,12H2,1H3,(H,18,20).
What are the key properties of 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone?
1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone has a molecular weight of 312.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 127246927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).