2-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

C18H20FN3O2 — CID 100662667

IUPAC2-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CN1C[C@H](O)C[C@H]1c1ccc(F)cc1)NCc1cccnc1
InChIInChI=1S/C18H20FN3O2/c19-15-5-3-14(4-6-15)17-8-16(23)11-22(17)12-18(24)21-10-13-2-1-7-20-9-13/h1-7,9,16-17,23H,8,10-12H2,(H,21,24)/t16-,17+/m1/s1
InChIKeyJPSNTJNKOIAGKA-SJORKVTESA-N
MW329.38 g/mol
LogP1.64
Rot. Bonds5

About 2-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 100662667) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID100662667
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CN1C[C@H](O)C[C@H]1c1ccc(F)cc1)NCc1cccnc1
InChIInChI=1S/C18H20FN3O2/c19-15-5-3-14(4-6-15)17-8-16(23)11-22(17)12-18(24)21-10-13-2-1-7-20-9-13/h1-7,9,16-17,23H,8,10-12H2,(H,21,24)/t16-,17+/m1/s1
InChIKeyJPSNTJNKOIAGKA-SJORKVTESA-N
XLogP1.64
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 100736548
2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 128972858
2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 128986753
(3S,5S)-5-(4-fluorophenyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-ol
CID 129350956
N-(5-chloro-2-pyridinyl)-2-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
CID 129350369
2-[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 99106907
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 120758254
2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 31334048
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109021011
6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 46041524
(3R,5S)-1-benzyl-5-(4-fluorophenyl)-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 134808798
2-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 112993090

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 100662667) is 2-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is O=C(CN1C[C@H](O)C[C@H]1c1ccc(F)cc1)NCc1cccnc1.
What is the InChIKey of 2-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is JPSNTJNKOIAGKA-SJORKVTESA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-15-5-3-14(4-6-15)17-8-16(23)11-22(17)12-18(24)21-10-13-2-1-7-20-9-13/h1-7,9,16-17,23H,8,10-12H2,(H,21,24)/t16-,17+/m1/s1.
What are the key properties of 2-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 329.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 100662667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).