1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone

C24H24N2O — CID 110254483

IUPAC1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCCC1c1cccc(Cc2ccccc2)n1
InChIInChI=1S/C24H24N2O/c27-24(18-20-11-5-2-6-12-20)26-16-8-15-23(26)22-14-7-13-21(25-22)17-19-9-3-1-4-10-19/h1-7,9-14,23H,8,15-18H2
InChIKeyHKSAKSRIKDFVKO-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.58
Rot. Bonds5

About 1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone

1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone (PubChem CID 110254483) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone
PubChem CID110254483
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCCC1c1cccc(Cc2ccccc2)n1
InChIInChI=1S/C24H24N2O/c27-24(18-20-11-5-2-6-12-20)26-16-8-15-23(26)22-14-7-13-21(25-22)17-19-9-3-1-4-10-19/h1-7,9-14,23H,8,15-18H2
InChIKeyHKSAKSRIKDFVKO-UHFFFAOYSA-N
XLogP4.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 110254541
[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone
CID 95818235
2-(4-fluorophenyl)-1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110254606
1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone
CID 110254579
1-[(2R)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95818210
2-pyridin-2-yl-1-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95818185
2-pyridin-2-yl-1-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95818184
[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110254706
cyclopentyl-[(2S)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95818236
1-[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone
CID 95818099
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95818385
1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 155985300

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone (CID 110254483) is 1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCCC1c1cccc(Cc2ccccc2)n1.
What is the InChIKey of 1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone?
The InChIKey is HKSAKSRIKDFVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c27-24(18-20-11-5-2-6-12-20)26-16-8-15-23(26)22-14-7-13-21(25-22)17-19-9-3-1-4-10-19/h1-7,9-14,23H,8,15-18H2.
What are the key properties of 1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone?
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone has a molecular weight of 356.47 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 110254483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).