4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide

C23H20F3N3O4 — CID 118195292

IUPAC4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2C[C@H](O)[C@@H](O)C2)c(-c2cccnc2)c1
InChIInChI=1S/C23H20F3N3O4/c24-23(25,26)33-17-6-4-16(5-7-17)28-22(32)14-3-8-19(29-12-20(30)21(31)13-29)18(10-14)15-2-1-9-27-11-15/h1-11,20-21,30-31H,12-13H2,(H,28,32)/t20-,21-/m0/s1
InChIKeyTXRYJDJETFXTIP-SFTDATJTSA-N
MW459.42 g/mol
LogP3.44
Rot. Bonds5

About 4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide

4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 118195292) has the molecular formula C23H20F3N3O4 and a molecular weight of 459.42 g/mol. Its IUPAC name is 4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID118195292
Molecular FormulaC23H20F3N3O4
Molecular Weight459.42 g/mol
Exact Mass459.14
IUPAC Name4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2C[C@H](O)[C@@H](O)C2)c(-c2cccnc2)c1
InChIInChI=1S/C23H20F3N3O4/c24-23(25,26)33-17-6-4-16(5-7-17)28-22(32)14-3-8-19(29-12-20(30)21(31)13-29)18(10-14)15-2-1-9-27-11-15/h1-11,20-21,30-31H,12-13H2,(H,28,32)/t20-,21-/m0/s1
InChIKeyTXRYJDJETFXTIP-SFTDATJTSA-N
XLogP3.44
TPSA94.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.42
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-5-(3,5-Difluorophenyl)-6-(3-hydroxypyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
CID 89907260
(R)-N-(4-(Chlorodifluoromethoxy)phenyl)-4-(3-hydroxypyrrolidin-1-yl)-3-(pyrimidin-5-yl)benzamide
CID 89908235
N-(4-(Chlorodifluoromethoxy)phenyl)-6-((3S,4S)-3,4-dihydroxypyrrolidin-1-yl)-5-(5-fluoro-2-methylphenyl)nicotinamide
CID 89908242
4-((3S,4S)-3-Amino-4-hydroxypyrrolidin-1-yl)-N-(4-(chlorodifluoromethoxy)phenyl)-3-(5-fluoropyridin-3-yl)benzamide
CID 89908256
N-[4-[chloro(difluoro)methoxy]phenyl]-4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(2-methylpyrimidin-5-yl)benzamide
CID 89908320
3-(5-Cyano-1H-pyrrol-2-yl)-4-((3 S,4S)-3,4-dihydroxypyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)benzamide
CID 118045002
4-((3S,4S)-3-Amino-4-hydroxypyrrolidin-1-yl)-N-(4-(chlorodifluoromethoxy)phenyl)-3-(pyrimidin-5-yl)benzamide
CID 118195201
(R)-2-(3-Hydroxypyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)-[3,3'-bipyridine]-5-carboxamide
CID 118195259
(R)-5-(3-Fluorophenyl)-6-(3-hydroxypyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
CID 118195273
N-(4-(Chlorodifluoromethoxy)phenyl)-4-((3S,4S)-3,4-dihydroxypyrrolidin-1-yl)-3-(pyrimidin-5-yl)benzamide
CID 118195281
2-((3S,4S)-3,4-Dihydroxypyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)-[3,3'-bipyridine]-5-carboxamide
CID 118195327
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-fluoropyridin-3-yl)pyridine-3-carboxamide
CID 118198900

Frequently Asked Questions

What is the IUPAC name of 4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 118195292) is 4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2C[C@H](O)[C@@H](O)C2)c(-c2cccnc2)c1.
What is the InChIKey of 4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is TXRYJDJETFXTIP-SFTDATJTSA-N. The full InChI is InChI=1S/C23H20F3N3O4/c24-23(25,26)33-17-6-4-16(5-7-17)28-22(32)14-3-8-19(29-12-20(30)21(31)13-29)18(10-14)15-2-1-9-27-11-15/h1-11,20-21,30-31H,12-13H2,(H,28,32)/t20-,21-/m0/s1.
What are the key properties of 4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 459.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 118195292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).