2-[3-(hydroxymethyl)-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]-N,N-dimethylbenzamide

C26H26F3N3O3 — CID 156815285

IUPAC2-[3-(hydroxymethyl)-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1-c1ccc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)c(CO)c1
InChIInChI=1S/C26H26F3N3O3/c1-31(2)25(34)22-6-4-3-5-21(22)17-7-9-23(18(13-17)16-33)32-12-11-20(15-32)35-24-10-8-19(14-30-24)26(27,28)29/h3-10,13-14,20,33H,11-12,15-16H2,1-2H3
InChIKeyBGTUKRXBUYIZOB-UHFFFAOYSA-N
MW485.51 g/mol
LogP4.62
Rot. Bonds6

About 2-[3-(hydroxymethyl)-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]-N,N-dimethylbenzamide

2-[3-(hydroxymethyl)-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]-N,N-dimethylbenzamide (PubChem CID 156815285) has the molecular formula C26H26F3N3O3 and a molecular weight of 485.51 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]-N,N-dimethylbenzamide
PubChem CID156815285
Molecular FormulaC26H26F3N3O3
Molecular Weight485.51 g/mol
Exact Mass485.19
IUPAC Name2-[3-(hydroxymethyl)-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1-c1ccc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)c(CO)c1
InChIInChI=1S/C26H26F3N3O3/c1-31(2)25(34)22-6-4-3-5-21(22)17-7-9-23(18(13-17)16-33)32-12-11-20(15-32)35-24-10-8-19(14-30-24)26(27,28)29/h3-10,13-14,20,33H,11-12,15-16H2,1-2H3
InChIKeyBGTUKRXBUYIZOB-UHFFFAOYSA-N
XLogP4.62
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(hydroxymethyl)-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]-N,N-dimethylbenzamide 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

Glucosylceramide synthase-IN-1
CID 155595464
4-[2-(2,2-difluoroethoxy)phenyl]-2-[4-(2-hydroxypropan-2-yl)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405361
4-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-N,N-dimethylbenzamide
CID 163405364
2-[4-(2-hydroxypropan-2-yl)phenyl]-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405373
4-[8-[[5-Ethoxy-2-(6-fluoro-3-pyridinyl)-4-methylphenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
CID 56848175
4-[8-[[5-Ethoxy-4-methyl-2-[6-(trifluoromethyl)pyridin-3-yl]phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
CID 68092930
4-[8-[[5-Ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
CID 86766066
N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 90409412
N-[3-(6-ethoxy-5-morpholin-4-ylpyridin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 90442606
3-(difluoromethyl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridin-3-yl)-4-methylphenyl]benzamide
CID 90461389
(R)-2-(furan-2-yl)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)benzamide
CID 46881980
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-2-(phenoxymethyl)benzamide
CID 46882028

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]-N,N-dimethylbenzamide?
The IUPAC name of 2-[3-(hydroxymethyl)-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]-N,N-dimethylbenzamide (CID 156815285) is 2-[3-(hydroxymethyl)-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[3-(hydroxymethyl)-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccccc1-c1ccc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)c(CO)c1.
What is the InChIKey of 2-[3-(hydroxymethyl)-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]-N,N-dimethylbenzamide?
The InChIKey is BGTUKRXBUYIZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O3/c1-31(2)25(34)22-6-4-3-5-21(22)17-7-9-23(18(13-17)16-33)32-12-11-20(15-32)35-24-10-8-19(14-30-24)26(27,28)29/h3-10,13-14,20,33H,11-12,15-16H2,1-2H3.
What are the key properties of 2-[3-(hydroxymethyl)-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]-N,N-dimethylbenzamide?
2-[3-(hydroxymethyl)-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]-N,N-dimethylbenzamide has a molecular weight of 485.51 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 156815285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).