2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

C13H18FN3O2 — CID 128986753

IUPAC2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CN1C[C@@H](F)C[C@H]1CO)NCc1cccnc1
InChIInChI=1S/C13H18FN3O2/c14-11-4-12(9-18)17(7-11)8-13(19)16-6-10-2-1-3-15-5-10/h1-3,5,11-12,18H,4,6-9H2,(H,16,19)/t11-,12-/m0/s1
InChIKeyDRNGDMOCPMTALW-RYUDHWBXSA-N
MW267.30 g/mol
LogP0.10
Rot. Bonds5

About 2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 128986753) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID128986753
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CN1C[C@@H](F)C[C@H]1CO)NCc1cccnc1
InChIInChI=1S/C13H18FN3O2/c14-11-4-12(9-18)17(7-11)8-13(19)16-6-10-2-1-3-15-5-10/h1-3,5,11-12,18H,4,6-9H2,(H,16,19)/t11-,12-/m0/s1
InChIKeyDRNGDMOCPMTALW-RYUDHWBXSA-N
XLogP0.10
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 128986780
2-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 100662667
2-[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 99106907
2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 100736548
N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-2-pyridin-3-ylacetamide
CID 128991837
(1S,2R,5R)-2-phenyl-N-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 166294995
2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 99847485
4-methylsulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47125297
2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 97078468
3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide
CID 108941959
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 120758254
2-[1-(pyridin-3-ylmethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64619006

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 128986753) is 2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is O=C(CN1C[C@@H](F)C[C@H]1CO)NCc1cccnc1.
What is the InChIKey of 2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is DRNGDMOCPMTALW-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H18FN3O2/c14-11-4-12(9-18)17(7-11)8-13(19)16-6-10-2-1-3-15-5-10/h1-3,5,11-12,18H,4,6-9H2,(H,16,19)/t11-,12-/m0/s1.
What are the key properties of 2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 267.30 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 128986753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).