N-[[6-[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide

C20H22FN3O2 — CID 124973479

IUPACN-[[6-[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1ccc([C@@H]2CCCN2C(=O)Cc2cccc(F)c2)nc1
InChIInChI=1S/C20H22FN3O2/c1-14(25)22-12-16-7-8-18(23-13-16)19-6-3-9-24(19)20(26)11-15-4-2-5-17(21)10-15/h2,4-5,7-8,10,13,19H,3,6,9,11-12H2,1H3,(H,22,25)/t19-/m0/s1
InChIKeyKKHNEACXORIYNI-IBGZPJMESA-N
MW355.41 g/mol
LogP2.76
Rot. Bonds5

About N-[[6-[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide

N-[[6-[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide (PubChem CID 124973479) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[[6-[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
PubChem CID124973479
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-[[6-[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1ccc([C@@H]2CCCN2C(=O)Cc2cccc(F)c2)nc1
InChIInChI=1S/C20H22FN3O2/c1-14(25)22-12-16-7-8-18(23-13-16)19-6-3-9-24(19)20(26)11-15-4-2-5-17(21)10-15/h2,4-5,7-8,10,13,19H,3,6,9,11-12H2,1H3,(H,22,25)/t19-/m0/s1
InChIKeyKKHNEACXORIYNI-IBGZPJMESA-N
XLogP2.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124939627
N-[[6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110094898
2-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone
CID 50747082
3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-[2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 110264000
N-[2-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 125021697
1-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 94080637
N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-(3-fluorophenyl)acetamide
CID 124979320
3-[3-[(2S)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 92615627
2-(3-fluorophenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 94627618
1-[(2R)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95818210
2-(3-fluorophenyl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 110750388
N-[[6-[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124969790

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide (CID 124973479) is N-[[6-[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide is CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)Cc2cccc(F)c2)nc1.
What is the InChIKey of N-[[6-[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide?
The InChIKey is KKHNEACXORIYNI-IBGZPJMESA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-14(25)22-12-16-7-8-18(23-13-16)19-6-3-9-24(19)20(26)11-15-4-2-5-17(21)10-15/h2,4-5,7-8,10,13,19H,3,6,9,11-12H2,1H3,(H,22,25)/t19-/m0/s1.
What are the key properties of N-[[6-[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide?
N-[[6-[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide has a molecular weight of 355.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 124973479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).