5-oxo-1-(pyridin-2-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxamide

C21H22F3N3O2 — CID 154838215

IUPAC5-oxo-1-(pyridin-2-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxamide
SMILESCC(CNC(=O)C1CC(=O)N(Cc2ccccn2)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H22F3N3O2/c1-14(15-5-4-6-17(9-15)21(22,23)24)11-26-20(29)16-10-19(28)27(12-16)13-18-7-2-3-8-25-18/h2-9,14,16H,10-13H2,1H3,(H,26,29)
InChIKeyZPVUDCZJTRVPHC-UHFFFAOYSA-N
MW405.42 g/mol
LogP3.37
Rot. Bonds6

About 5-oxo-1-(pyridin-2-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxamide

5-oxo-1-(pyridin-2-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxamide (PubChem CID 154838215) has the molecular formula C21H22F3N3O2 and a molecular weight of 405.42 g/mol. Its IUPAC name is 5-oxo-1-(pyridin-2-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(pyridin-2-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxamide
PubChem CID154838215
Molecular FormulaC21H22F3N3O2
Molecular Weight405.42 g/mol
Exact Mass405.17
IUPAC Name5-oxo-1-(pyridin-2-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxamide
SMILESCC(CNC(=O)C1CC(=O)N(Cc2ccccn2)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H22F3N3O2/c1-14(15-5-4-6-17(9-15)21(22,23)24)11-26-20(29)16-10-19(28)27(12-16)13-18-7-2-3-8-25-18/h2-9,14,16H,10-13H2,1H3,(H,26,29)
InChIKeyZPVUDCZJTRVPHC-UHFFFAOYSA-N
XLogP3.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 46172075
(2R)-2-benzyl-3-[[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 125153798
(3R)-N-[(2R)-1-methoxypropan-2-yl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 95129903
(4S)-4-[[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid
CID 125150445
(4R)-4-[[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid
CID 125150447
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55683678
(3R)-5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 94125432
1-[(4-methylphenyl)methyl]-5-oxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 112763936
4-[[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 119136589
(3R)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97278033
5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
CID 55641669
N-[2-(3-methoxyphenyl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113183927

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(pyridin-2-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(pyridin-2-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxamide (CID 154838215) is 5-oxo-1-(pyridin-2-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(pyridin-2-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(pyridin-2-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxamide is CC(CNC(=O)C1CC(=O)N(Cc2ccccn2)C1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-oxo-1-(pyridin-2-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxamide?
The InChIKey is ZPVUDCZJTRVPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O2/c1-14(15-5-4-6-17(9-15)21(22,23)24)11-26-20(29)16-10-19(28)27(12-16)13-18-7-2-3-8-25-18/h2-9,14,16H,10-13H2,1H3,(H,26,29).
What are the key properties of 5-oxo-1-(pyridin-2-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxamide?
5-oxo-1-(pyridin-2-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxamide has a molecular weight of 405.42 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(pyridin-2-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 154838215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).