cyclopentyl-[(2S)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone

C23H28N2O — CID 95818236

IUPACcyclopentyl-[(2S)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCc1ccc(Cc2cccc([C@@H]3CCCN3C(=O)C3CCCC3)n2)cc1
InChIInChI=1S/C23H28N2O/c1-17-11-13-18(14-12-17)16-20-8-4-9-21(24-20)22-10-5-15-25(22)23(26)19-6-2-3-7-19/h4,8-9,11-14,19,22H,2-3,5-7,10,15-16H2,1H3/t22-/m0/s1
InChIKeyDPEJFHNKRJXLMS-QFIPXVFZSA-N
MW348.49 g/mol
LogP4.83
Rot. Bonds4

About cyclopentyl-[(2S)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone

cyclopentyl-[(2S)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 95818236) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is cyclopentyl-[(2S)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(2S)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
PubChem CID95818236
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Namecyclopentyl-[(2S)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCc1ccc(Cc2cccc([C@@H]3CCCN3C(=O)C3CCCC3)n2)cc1
InChIInChI=1S/C23H28N2O/c1-17-11-13-18(14-12-17)16-20-8-4-9-21(24-20)22-10-5-15-25(22)23(26)19-6-2-3-7-19/h4,8-9,11-14,19,22H,2-3,5-7,10,15-16H2,1H3/t22-/m0/s1
InChIKeyDPEJFHNKRJXLMS-QFIPXVFZSA-N
XLogP4.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclopentyl-[(2S)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone
CID 95818235
cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone
CID 95817448
N,N-dimethyl-2-[(2R)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95818189
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 110254541
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone
CID 110254483
[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110254706
2-[(4-methylphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817914
1-[4-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110254684
[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 110254532
cyclobutyl-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110249572
cyclopentyl-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95809983
cyclopentyl-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95838436

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(2S)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[(2S)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone (CID 95818236) is cyclopentyl-[(2S)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[(2S)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[(2S)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone is Cc1ccc(Cc2cccc([C@@H]3CCCN3C(=O)C3CCCC3)n2)cc1.
What is the InChIKey of cyclopentyl-[(2S)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone?
The InChIKey is DPEJFHNKRJXLMS-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H28N2O/c1-17-11-13-18(14-12-17)16-20-8-4-9-21(24-20)22-10-5-15-25(22)23(26)19-6-2-3-7-19/h4,8-9,11-14,19,22H,2-3,5-7,10,15-16H2,1H3/t22-/m0/s1.
What are the key properties of cyclopentyl-[(2S)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone?
cyclopentyl-[(2S)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone has a molecular weight of 348.49 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(2S)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95818236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).