1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone

C16H20N4O — CID 95815928

IUPAC1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCCc1nccn1-c1cccc([C@@H]2CCCN2C(C)=O)n1
InChIInChI=1S/C16H20N4O/c1-3-15-17-9-11-20(15)16-8-4-6-13(18-16)14-7-5-10-19(14)12(2)21/h4,6,8-9,11,14H,3,5,7,10H2,1-2H3/t14-/m0/s1
InChIKeyYRQZQUGAVZVIJM-AWEZNQCLSA-N
MW284.36 g/mol
LogP2.51
Rot. Bonds3

About 1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone

1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone (PubChem CID 95815928) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
PubChem CID95815928
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCCc1nccn1-c1cccc([C@@H]2CCCN2C(C)=O)n1
InChIInChI=1S/C16H20N4O/c1-3-15-17-9-11-20(15)16-8-4-6-13(18-16)14-7-5-10-19(14)12(2)21/h4,6,8-9,11,14H,3,5,7,10H2,1-2H3/t14-/m0/s1
InChIKeyYRQZQUGAVZVIJM-AWEZNQCLSA-N
XLogP2.51
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110268084
2-(dimethylamino)-1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95838931
[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 95838768
1-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 95838940
[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95839151
2-(2-ethylimidazol-1-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 95839014
2-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanol
CID 95815943
2-(1-benzylpyrrolidin-2-yl)-6-(2-ethylimidazol-1-yl)pyridine
CID 110268024
[4-[2-(dimethylamino)ethoxy]phenyl]-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124939502
N-cyclopentyl-2-[5-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide
CID 110122450
2-[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]acetamide
CID 95815984
cyclobutyl-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 110267761

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone (CID 95815928) is 1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone is CCc1nccn1-c1cccc([C@@H]2CCCN2C(C)=O)n1.
What is the InChIKey of 1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The InChIKey is YRQZQUGAVZVIJM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-15-17-9-11-20(15)16-8-4-6-13(18-16)14-7-5-10-19(14)12(2)21/h4,6,8-9,11,14H,3,5,7,10H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone has a molecular weight of 284.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95815928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).