N,N-dimethyl-2-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide

C21H24F3N3O — CID 95818201

IUPACN,N-dimethyl-2-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C21H24F3N3O/c1-26(2)20(28)14-27-12-4-7-19(27)18-6-3-5-17(25-18)13-15-8-10-16(11-9-15)21(22,23)24/h3,5-6,8-11,19H,4,7,12-14H2,1-2H3/t19-/m0/s1
InChIKeyNEPJQTCXBJADBS-IBGZPJMESA-N
MW391.44 g/mol
LogP3.92
Rot. Bonds5

About N,N-dimethyl-2-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide

N,N-dimethyl-2-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide (PubChem CID 95818201) has the molecular formula C21H24F3N3O and a molecular weight of 391.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
PubChem CID95818201
Molecular FormulaC21H24F3N3O
Molecular Weight391.44 g/mol
Exact Mass391.19
IUPAC NameN,N-dimethyl-2-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C21H24F3N3O/c1-26(2)20(28)14-27-12-4-7-19(27)18-6-3-5-17(25-18)13-15-8-10-16(11-9-15)21(22,23)24/h3,5-6,8-11,19H,4,7,12-14H2,1-2H3/t19-/m0/s1
InChIKeyNEPJQTCXBJADBS-IBGZPJMESA-N
XLogP3.92
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95818200
N,N-dimethyl-2-[(2R)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95818189
2-[(2R)-2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 95818198
N,N-dimethyl-2-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide
CID 95809880
2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine
CID 95817972
2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine
CID 110254681
2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 95818195
pyridin-4-yl-[2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 110254529
N,N-dimethyl-2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]acetamide
CID 95817458
N-[2-oxo-2-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]ethyl]acetamide
CID 95818338
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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide (CID 95818201) is N,N-dimethyl-2-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide is CN(C)C(=O)CN1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N,N-dimethyl-2-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide?
The InChIKey is NEPJQTCXBJADBS-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24F3N3O/c1-26(2)20(28)14-27-12-4-7-19(27)18-6-3-5-17(25-18)13-15-8-10-16(11-9-15)21(22,23)24/h3,5-6,8-11,19H,4,7,12-14H2,1-2H3/t19-/m0/s1.
What are the key properties of N,N-dimethyl-2-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide?
N,N-dimethyl-2-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide has a molecular weight of 391.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95818201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).