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

C25H23F3N4O3 — CID 66962144

IUPACN-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
SMILESO=C(NCc1ccccn1)c1ncccc1OCC1CCCN1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H23F3N4O3/c26-25(27,28)18-7-3-6-17(14-18)24(34)32-13-5-9-20(32)16-35-21-10-4-12-30-22(21)23(33)31-15-19-8-1-2-11-29-19/h1-4,6-8,10-12,14,20H,5,9,13,15-16H2,(H,31,33)
InChIKeyQVCVGFTZZHSUCF-UHFFFAOYSA-N
MW484.48 g/mol
LogP4.11
Rot. Bonds7

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

N-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide (PubChem CID 66962144) has the molecular formula C25H23F3N4O3 and a molecular weight of 484.48 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
PubChem CID66962144
Molecular FormulaC25H23F3N4O3
Molecular Weight484.48 g/mol
Exact Mass484.17
IUPAC NameN-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
SMILESO=C(NCc1ccccn1)c1ncccc1OCC1CCCN1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H23F3N4O3/c26-25(27,28)18-7-3-6-17(14-18)24(34)32-13-5-9-20(32)16-35-21-10-4-12-30-22(21)23(33)31-15-19-8-1-2-11-29-19/h1-4,6-8,10-12,14,20H,5,9,13,15-16H2,(H,31,33)
InChIKeyQVCVGFTZZHSUCF-UHFFFAOYSA-N
XLogP4.11
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(pyridin-2-ylmethyl)-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-(2-hydroxyethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
CID 67773123
[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
3-[[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide
CID 70796022
4-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 109047547
[(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-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]but-2-enamide
CID 71870789
tert-butyl (2R)-2-[(2-carbamoyl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 66961823
[1-(2-pyridin-2-ylethyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 72906775
2-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 96538815
8-methyl-7-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155859502

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide (CID 66962144) is N-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide is O=C(NCc1ccccn1)c1ncccc1OCC1CCCN1C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide?
The InChIKey is QVCVGFTZZHSUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O3/c26-25(27,28)18-7-3-6-17(14-18)24(34)32-13-5-9-20(32)16-35-21-10-4-12-30-22(21)23(33)31-15-19-8-1-2-11-29-19/h1-4,6-8,10-12,14,20H,5,9,13,15-16H2,(H,31,33).
What are the key properties of N-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide?
N-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide has a molecular weight of 484.48 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide is sourced from PubChem (CID 66962144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).