N-(2-hydroxyethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide

C21H22F3N3O4 — CID 67773123

IUPACN-(2-hydroxyethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
SMILESO=C(NCCO)c1ncccc1OCC1CCCN1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H22F3N3O4/c22-21(23,24)15-5-1-4-14(12-15)20(30)27-10-3-6-16(27)13-31-17-7-2-8-25-18(17)19(29)26-9-11-28/h1-2,4-5,7-8,12,16,28H,3,6,9-11,13H2,(H,26,29)
InChIKeyUWSVFDUSBQSWLY-UHFFFAOYSA-N
MW437.42 g/mol
LogP2.51
Rot. Bonds7

About N-(2-hydroxyethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide

N-(2-hydroxyethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide (PubChem CID 67773123) has the molecular formula C21H22F3N3O4 and a molecular weight of 437.42 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
PubChem CID67773123
Molecular FormulaC21H22F3N3O4
Molecular Weight437.42 g/mol
Exact Mass437.16
IUPAC NameN-(2-hydroxyethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
SMILESO=C(NCCO)c1ncccc1OCC1CCCN1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H22F3N3O4/c22-21(23,24)15-5-1-4-14(12-15)20(30)27-10-3-6-16(27)13-31-17-7-2-8-25-18(17)19(29)26-9-11-28/h1-2,4-5,7-8,12,16,28H,3,6,9-11,13H2,(H,26,29)
InChIKeyUWSVFDUSBQSWLY-UHFFFAOYSA-N
XLogP2.51
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxyethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide 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

N-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
CID 66962144
[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 81484757
3-[[1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
CID 66961825
[(2R)-1-[3-(trifluoromethyl)benzoyl]piperidin-2-yl]methylurea
CID 95294540
3-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
CID 67773318
N-(2-hydroxyethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
CID 66962030
3-[[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide
CID 70796022
tert-butyl (2R)-2-[(2-carbamoyl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 66961823
(2-fluoro-3-pyridinyl) (2S)-2-[(2-fluoro-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 174187814
N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 55705190
(4aR,9aR)-5-methyl-1-[3-(trifluoromethyl)benzoyl]-2,3,4,4a,7,8,9,9a-octahydropyrido[3,2-b]azepin-6-one
CID 110124796
1-[3-(trifluoromethyl)benzoyl]piperidine-2-carboxylic acid
CID 43079381

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide (CID 67773123) is N-(2-hydroxyethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide is O=C(NCCO)c1ncccc1OCC1CCCN1C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-hydroxyethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide?
The InChIKey is UWSVFDUSBQSWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O4/c22-21(23,24)15-5-1-4-14(12-15)20(30)27-10-3-6-16(27)13-31-17-7-2-8-25-18(17)19(29)26-9-11-28/h1-2,4-5,7-8,12,16,28H,3,6,9-11,13H2,(H,26,29).
What are the key properties of N-(2-hydroxyethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide?
N-(2-hydroxyethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide has a molecular weight of 437.42 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide is sourced from PubChem (CID 67773123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).