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

C18H25N5O — CID 95838931

IUPAC2-(dimethylamino)-1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)CN(C)C)n1
InChIInChI=1S/C18H25N5O/c1-4-16-19-10-12-23(16)17-9-5-7-14(20-17)15-8-6-11-22(15)18(24)13-21(2)3/h5,7,9-10,12,15H,4,6,8,11,13H2,1-3H3/t15-/m0/s1
InChIKeyZVHMYHKOMFODNF-HNNXBMFYSA-N
MW327.43 g/mol
LogP2.05
Rot. Bonds5

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

2-(dimethylamino)-1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone (PubChem CID 95838931) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
PubChem CID95838931
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-(dimethylamino)-1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)CN(C)C)n1
InChIInChI=1S/C18H25N5O/c1-4-16-19-10-12-23(16)17-9-5-7-14(20-17)15-8-6-11-22(15)18(24)13-21(2)3/h5,7,9-10,12,15H,4,6,8,11,13H2,1-3H3/t15-/m0/s1
InChIKeyZVHMYHKOMFODNF-HNNXBMFYSA-N
XLogP2.05
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110268084
1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95815928
1-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 95838940
[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 95838768
[4-[2-(dimethylamino)ethoxy]phenyl]-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124939502
[(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
1-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 95838357
2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
CID 73440457
1-[(2R)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 95838496

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone (CID 95838931) is 2-(dimethylamino)-1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone is CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)CN(C)C)n1.
What is the InChIKey of 2-(dimethylamino)-1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The InChIKey is ZVHMYHKOMFODNF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-4-16-19-10-12-23(16)17-9-5-7-14(20-17)15-8-6-11-22(15)18(24)13-21(2)3/h5,7,9-10,12,15H,4,6,8,11,13H2,1-3H3/t15-/m0/s1.
What are the key properties of 2-(dimethylamino)-1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
2-(dimethylamino)-1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone has a molecular weight of 327.43 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95838931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).