2-(2-ethylimidazol-1-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]acetamide

C17H22FN5O2 — CID 110124292

IUPAC2-(2-ethylimidazol-1-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]acetamide
SMILESCCc1nccn1CC(=O)NCC1(O)CCN(c2ccc(F)cn2)C1
InChIInChI=1S/C17H22FN5O2/c1-2-14-19-6-8-22(14)10-16(24)21-11-17(25)5-7-23(12-17)15-4-3-13(18)9-20-15/h3-4,6,8-9,25H,2,5,7,10-12H2,1H3,(H,21,24)
InChIKeyUEZAZUBPXCEUMH-UHFFFAOYSA-N
MW347.39 g/mol
LogP0.74
Rot. Bonds6

About 2-(2-ethylimidazol-1-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]acetamide

2-(2-ethylimidazol-1-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]acetamide (PubChem CID 110124292) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]acetamide
PubChem CID110124292
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC Name2-(2-ethylimidazol-1-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]acetamide
SMILESCCc1nccn1CC(=O)NCC1(O)CCN(c2ccc(F)cn2)C1
InChIInChI=1S/C17H22FN5O2/c1-2-14-19-6-8-22(14)10-16(24)21-11-17(25)5-7-23(12-17)15-4-3-13(18)9-20-15/h3-4,6,8-9,25H,2,5,7,10-12H2,1H3,(H,21,24)
InChIKeyUEZAZUBPXCEUMH-UHFFFAOYSA-N
XLogP0.74
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]acetamide (CID 110124292) is 2-(2-ethylimidazol-1-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]acetamide is CCc1nccn1CC(=O)NCC1(O)CCN(c2ccc(F)cn2)C1.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]acetamide?
The InChIKey is UEZAZUBPXCEUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-2-14-19-6-8-22(14)10-16(24)21-11-17(25)5-7-23(12-17)15-4-3-13(18)9-20-15/h3-4,6,8-9,25H,2,5,7,10-12H2,1H3,(H,21,24).
What are the key properties of 2-(2-ethylimidazol-1-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]acetamide?
2-(2-ethylimidazol-1-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]acetamide has a molecular weight of 347.39 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 110124292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).