2-[(2S)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]acetamide

C17H18FN3O2 — CID 124991443

IUPAC2-[(2S)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]acetamide
SMILESNC(=O)CN1CCC[C@H]1c1cccc(Oc2ccccc2F)n1
InChIInChI=1S/C17H18FN3O2/c18-12-5-1-2-8-15(12)23-17-9-3-6-13(20-17)14-7-4-10-21(14)11-16(19)22/h1-3,5-6,8-9,14H,4,7,10-11H2,(H2,19,22)/t14-/m0/s1
InChIKeyPJKGDCHAHXNSKS-AWEZNQCLSA-N
MW315.35 g/mol
LogP2.64
Rot. Bonds5

About 2-[(2S)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]acetamide

2-[(2S)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]acetamide (PubChem CID 124991443) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-[(2S)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]acetamide
PubChem CID124991443
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name2-[(2S)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]acetamide
SMILESNC(=O)CN1CCC[C@H]1c1cccc(Oc2ccccc2F)n1
InChIInChI=1S/C17H18FN3O2/c18-12-5-1-2-8-15(12)23-17-9-3-6-13(20-17)14-7-4-10-21(14)11-16(19)22/h1-3,5-6,8-9,14H,4,7,10-11H2,(H2,19,22)/t14-/m0/s1
InChIKeyPJKGDCHAHXNSKS-AWEZNQCLSA-N
XLogP2.64
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95846664
1-[2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110271435
2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
CID 110256239
2-[2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 110270026
2-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95815925
2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]acetic acid
CID 110258410
2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 95817863
2-[(2S)-2-[6-(4-methoxyphenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 95843435
2-[(2S)-2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide
CID 95842902
2-[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110258535
2-[(3S)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 95822642
2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 95818195

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[(2S)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]acetamide (CID 124991443) is 2-[(2S)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[(2S)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[(2S)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]acetamide is NC(=O)CN1CCC[C@H]1c1cccc(Oc2ccccc2F)n1.
What is the InChIKey of 2-[(2S)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]acetamide?
The InChIKey is PJKGDCHAHXNSKS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-12-5-1-2-8-15(12)23-17-9-3-6-13(20-17)14-7-4-10-21(14)11-16(19)22/h1-3,5-6,8-9,14H,4,7,10-11H2,(H2,19,22)/t14-/m0/s1.
What are the key properties of 2-[(2S)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]acetamide?
2-[(2S)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]acetamide has a molecular weight of 315.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 124991443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).