N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-[(1R,2R)-2-pyridin-3-yl-1-(trifluoromethyl)cyclopropyl]propanamide

C24H27F6N3O2 — CID 166025575

IUPACN-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-[(1R,2R)-2-pyridin-3-yl-1-(trifluoromethyl)cyclopropyl]propanamide
SMILESCN(C)[C@H](CNC(=O)CC[C@@]1(C(F)(F)F)C[C@@H]1c1cccnc1)Cc1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C24H27F6N3O2/c1-33(2)17(10-15-5-6-18(34)11-19(15)23(25,26)27)14-32-21(35)7-8-22(24(28,29)30)12-20(22)16-4-3-9-31-13-16/h3-6,9,11,13,17,20,34H,7-8,10,12,14H2,1-2H3,(H,32,35)/t17-,20+,22+/m0/s1
InChIKeyUDVITBAOWRNGFZ-UCNVEGJOSA-N
MW503.49 g/mol
LogP4.91
Rot. Bonds9

About N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-[(1R,2R)-2-pyridin-3-yl-1-(trifluoromethyl)cyclopropyl]propanamide

N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-[(1R,2R)-2-pyridin-3-yl-1-(trifluoromethyl)cyclopropyl]propanamide (PubChem CID 166025575) has the molecular formula C24H27F6N3O2 and a molecular weight of 503.49 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-[(1R,2R)-2-pyridin-3-yl-1-(trifluoromethyl)cyclopropyl]propanamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-[(1R,2R)-2-pyridin-3-yl-1-(trifluoromethyl)cyclopropyl]propanamide
PubChem CID166025575
Molecular FormulaC24H27F6N3O2
Molecular Weight503.49 g/mol
Exact Mass503.20
IUPAC NameN-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-[(1R,2R)-2-pyridin-3-yl-1-(trifluoromethyl)cyclopropyl]propanamide
SMILESCN(C)[C@H](CNC(=O)CC[C@@]1(C(F)(F)F)C[C@@H]1c1cccnc1)Cc1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C24H27F6N3O2/c1-33(2)17(10-15-5-6-18(34)11-19(15)23(25,26)27)14-32-21(35)7-8-22(24(28,29)30)12-20(22)16-4-3-9-31-13-16/h3-6,9,11,13,17,20,34H,7-8,10,12,14H2,1-2H3,(H,32,35)/t17-,20+,22+/m0/s1
InChIKeyUDVITBAOWRNGFZ-UCNVEGJOSA-N
XLogP4.91
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.49
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-[(1R,2R)-2-pyridin-3-yl-1-(trifluoromethyl)cyclopropyl]propanamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-[(1R,2R)-2-pyridin-3-yl-1-(trifluoromethyl)cyclopropyl]propanamide (CID 166025575) is N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-[(1R,2R)-2-pyridin-3-yl-1-(trifluoromethyl)cyclopropyl]propanamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-[(1R,2R)-2-pyridin-3-yl-1-(trifluoromethyl)cyclopropyl]propanamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-[(1R,2R)-2-pyridin-3-yl-1-(trifluoromethyl)cyclopropyl]propanamide is CN(C)[C@H](CNC(=O)CC[C@@]1(C(F)(F)F)C[C@@H]1c1cccnc1)Cc1ccc(O)cc1C(F)(F)F.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-[(1R,2R)-2-pyridin-3-yl-1-(trifluoromethyl)cyclopropyl]propanamide?
The InChIKey is UDVITBAOWRNGFZ-UCNVEGJOSA-N. The full InChI is InChI=1S/C24H27F6N3O2/c1-33(2)17(10-15-5-6-18(34)11-19(15)23(25,26)27)14-32-21(35)7-8-22(24(28,29)30)12-20(22)16-4-3-9-31-13-16/h3-6,9,11,13,17,20,34H,7-8,10,12,14H2,1-2H3,(H,32,35)/t17-,20+,22+/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-[(1R,2R)-2-pyridin-3-yl-1-(trifluoromethyl)cyclopropyl]propanamide?
N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-[(1R,2R)-2-pyridin-3-yl-1-(trifluoromethyl)cyclopropyl]propanamide has a molecular weight of 503.49 g/mol, XLogP of 4.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-[(1R,2R)-2-pyridin-3-yl-1-(trifluoromethyl)cyclopropyl]propanamide is sourced from PubChem (CID 166025575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).