N-[[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide

C20H21F4N3O — CID 95816244

IUPACN-[[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cnc([C@@H]2CCCN2Cc2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C20H21F4N3O/c1-13(28)25-10-15-11-26-18(9-17(15)20(22,23)24)19-3-2-8-27(19)12-14-4-6-16(21)7-5-14/h4-7,9,11,19H,2-3,8,10,12H2,1H3,(H,25,28)/t19-/m0/s1
InChIKeyPBCYRVRCGIXVQB-IBGZPJMESA-N
MW395.40 g/mol
LogP4.21
Rot. Bonds5

About N-[[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide

N-[[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (PubChem CID 95816244) has the molecular formula C20H21F4N3O and a molecular weight of 395.40 g/mol. Its IUPAC name is N-[[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
PubChem CID95816244
Molecular FormulaC20H21F4N3O
Molecular Weight395.40 g/mol
Exact Mass395.16
IUPAC NameN-[[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cnc([C@@H]2CCCN2Cc2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C20H21F4N3O/c1-13(28)25-10-15-11-26-18(9-17(15)20(22,23)24)19-3-2-8-27(19)12-14-4-6-16(21)7-5-14/h4-7,9,11,19H,2-3,8,10,12H2,1H3,(H,25,28)/t19-/m0/s1
InChIKeyPBCYRVRCGIXVQB-IBGZPJMESA-N
XLogP4.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 110253898
N-[[6-[(2R)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 95816267
N-[[6-[1-(3-phenylpropyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 110253855
N-[[6-[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124969790
N-[[6-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 110253910
N-[[6-[(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124996366
N-[[6-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110094722
N-[[4-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095760
N-[[6-[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124973479
N-[[6-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110094772
N-[[6-[(2R)-1-(pyrazin-2-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124953950
N-[[6-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124946164

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (CID 95816244) is N-[[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is CC(=O)NCc1cnc([C@@H]2CCCN2Cc2ccc(F)cc2)cc1C(F)(F)F.
What is the InChIKey of N-[[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The InChIKey is PBCYRVRCGIXVQB-IBGZPJMESA-N. The full InChI is InChI=1S/C20H21F4N3O/c1-13(28)25-10-15-11-26-18(9-17(15)20(22,23)24)19-3-2-8-27(19)12-14-4-6-16(21)7-5-14/h4-7,9,11,19H,2-3,8,10,12H2,1H3,(H,25,28)/t19-/m0/s1.
What are the key properties of N-[[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
N-[[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide has a molecular weight of 395.40 g/mol, XLogP of 4.21, 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-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 95816244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).