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

C22H26F3N3O — CID 110253855

IUPACN-[[6-[1-(3-phenylpropyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cnc(C2CCCN2CCCc2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C22H26F3N3O/c1-16(29)26-14-18-15-27-20(13-19(18)22(23,24)25)21-10-6-12-28(21)11-5-9-17-7-3-2-4-8-17/h2-4,7-8,13,15,21H,5-6,9-12,14H2,1H3,(H,26,29)
InChIKeyBNDXCMNTFQPYKJ-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.51
Rot. Bonds7

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

N-[[6-[1-(3-phenylpropyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (PubChem CID 110253855) has the molecular formula C22H26F3N3O and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[[6-[1-(3-phenylpropyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[1-(3-phenylpropyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
PubChem CID110253855
Molecular FormulaC22H26F3N3O
Molecular Weight405.46 g/mol
Exact Mass405.20
IUPAC NameN-[[6-[1-(3-phenylpropyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cnc(C2CCCN2CCCc2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C22H26F3N3O/c1-16(29)26-14-18-15-27-20(13-19(18)22(23,24)25)21-10-6-12-28(21)11-5-9-17-7-3-2-4-8-17/h2-4,7-8,13,15,21H,5-6,9-12,14H2,1H3,(H,26,29)
InChIKeyBNDXCMNTFQPYKJ-UHFFFAOYSA-N
XLogP4.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 95816244
N-[[6-[(2R)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 95816267
N-[[6-[(2S)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 124970355
N-[[6-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 110253898
N-[[6-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 110253910
N-[[6-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110094722
2-[[2-[6-(acetamidomethyl)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 110107808
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-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124996366
N-cyclopentyl-5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 95840522
N-[[6-[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124969790

Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-(3-phenylpropyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-[1-(3-phenylpropyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (CID 110253855) is N-[[6-[1-(3-phenylpropyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-[1-(3-phenylpropyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-[1-(3-phenylpropyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is CC(=O)NCc1cnc(C2CCCN2CCCc2ccccc2)cc1C(F)(F)F.
What is the InChIKey of N-[[6-[1-(3-phenylpropyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The InChIKey is BNDXCMNTFQPYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O/c1-16(29)26-14-18-15-27-20(13-19(18)22(23,24)25)21-10-6-12-28(21)11-5-9-17-7-3-2-4-8-17/h2-4,7-8,13,15,21H,5-6,9-12,14H2,1H3,(H,26,29).
What are the key properties of N-[[6-[1-(3-phenylpropyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
N-[[6-[1-(3-phenylpropyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide has a molecular weight of 405.46 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-(3-phenylpropyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 110253855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).