2-[(2R)-2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide

C20H24ClN3O — CID 95818198

IUPAC2-[(2R)-2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC[C@@H]1c1cccc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H24ClN3O/c1-23(2)20(25)14-24-12-4-7-19(24)18-6-3-5-17(22-18)13-15-8-10-16(21)11-9-15/h3,5-6,8-11,19H,4,7,12-14H2,1-2H3/t19-/m1/s1
InChIKeyKWGBVLZXDIUQFU-LJQANCHMSA-N
MW357.89 g/mol
LogP3.55
Rot. Bonds5

About 2-[(2R)-2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide

2-[(2R)-2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide (PubChem CID 95818198) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 2-[(2R)-2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2R)-2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
PubChem CID95818198
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name2-[(2R)-2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC[C@@H]1c1cccc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H24ClN3O/c1-23(2)20(25)14-24-12-4-7-19(24)18-6-3-5-17(22-18)13-15-8-10-16(21)11-9-15/h3,5-6,8-11,19H,4,7,12-14H2,1-2H3/t19-/m1/s1
InChIKeyKWGBVLZXDIUQFU-LJQANCHMSA-N
XLogP3.55
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[(2R)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95818189
N,N-dimethyl-2-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95818201
N,N-dimethyl-2-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95818200
N-[4-[[2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 110254674
2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 95818195
N,N-dimethyl-2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]acetamide
CID 95817458
2-[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-N-cyclohexylacetamide
CID 95817930
2-[(2S)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 95838700
N,N-dimethyl-2-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide
CID 95809880
cyclopentyl-[(2S)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95818236
1-[4-[(3S)-3-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 95810381
N,N-dimethyl-2-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]acetamide
CID 95841666

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2R)-2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide (CID 95818198) is 2-[(2R)-2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2R)-2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2R)-2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCC[C@@H]1c1cccc(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(2R)-2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is KWGBVLZXDIUQFU-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-23(2)20(25)14-24-12-4-7-19(24)18-6-3-5-17(22-18)13-15-8-10-16(21)11-9-15/h3,5-6,8-11,19H,4,7,12-14H2,1-2H3/t19-/m1/s1.
What are the key properties of 2-[(2R)-2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide?
2-[(2R)-2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 357.89 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 95818198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).