2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]propanamide

C20H19F6N3O — CID 146302542

IUPAC2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]propanamide
SMILESCC(C(=O)NC1CCN(c2ccc(C(F)(F)F)nc2)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F6N3O/c1-12(13-2-4-14(5-3-13)19(21,22)23)18(30)28-15-8-9-29(11-15)16-6-7-17(27-10-16)20(24,25)26/h2-7,10,12,15H,8-9,11H2,1H3,(H,28,30)
InChIKeyNNYAHVBESXJVRT-UHFFFAOYSA-N
MW431.38 g/mol
LogP4.62
Rot. Bonds4

About 2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]propanamide

2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]propanamide (PubChem CID 146302542) has the molecular formula C20H19F6N3O and a molecular weight of 431.38 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]propanamide
PubChem CID146302542
Molecular FormulaC20H19F6N3O
Molecular Weight431.38 g/mol
Exact Mass431.14
IUPAC Name2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]propanamide
SMILESCC(C(=O)NC1CCN(c2ccc(C(F)(F)F)nc2)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F6N3O/c1-12(13-2-4-14(5-3-13)19(21,22)23)18(30)28-15-8-9-29(11-15)16-6-7-17(27-10-16)20(24,25)26/h2-7,10,12,15H,8-9,11H2,1H3,(H,28,30)
InChIKeyNNYAHVBESXJVRT-UHFFFAOYSA-N
XLogP4.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.38
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]propanamide
CID 165043198
2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302539
(2S)-2-hydroxy-N-[(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide
CID 97337783
(2R)-2-[4-(2-methylpropyl)phenyl]-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]propanamide
CID 146302646
(3S)-N-[(1R)-1-pyrazin-2-ylethyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 97232131
1-methyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 171993484
2-(2H-benzotriazol-5-yl)-N-[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302708
5-methyl-N-[(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
CID 97214039
2-(1-methylindol-5-yl)-N-[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302783
N-[(3S)-1-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]pyrrolidin-3-yl]acetamide
CID 170267045
(3S)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 97232134
2-methyl-N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 56665469

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]propanamide?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]propanamide (CID 146302542) is 2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]propanamide?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]propanamide is CC(C(=O)NC1CCN(c2ccc(C(F)(F)F)nc2)C1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]propanamide?
The InChIKey is NNYAHVBESXJVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F6N3O/c1-12(13-2-4-14(5-3-13)19(21,22)23)18(30)28-15-8-9-29(11-15)16-6-7-17(27-10-16)20(24,25)26/h2-7,10,12,15H,8-9,11H2,1H3,(H,28,30).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]propanamide?
2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]propanamide has a molecular weight of 431.38 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 146302542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).