3-pyridin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide

C18H18F3N3O2 — CID 46891217

IUPAC3-pyridin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)N1CCC(c2ccncc2)C1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)26-16-4-2-1-3-14(16)11-23-17(25)24-10-7-15(12-24)13-5-8-22-9-6-13/h1-6,8-9,15H,7,10-12H2,(H,23,25)
InChIKeyQCMYNIHAZUWGBC-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.68
Rot. Bonds4

About 3-pyridin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide

3-pyridin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 46891217) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 3-pyridin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-pyridin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide
PubChem CID46891217
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name3-pyridin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)N1CCC(c2ccncc2)C1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)26-16-4-2-1-3-14(16)11-23-17(25)24-10-7-15(12-24)13-5-8-22-9-6-13/h1-6,8-9,15H,7,10-12H2,(H,23,25)
InChIKeyQCMYNIHAZUWGBC-UHFFFAOYSA-N
XLogP3.68
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-pyridin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-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-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylpiperidine-1-carboxamide
CID 164575485
1-(4-Pyridyl)-3-[6-[4-(trifluoromethyl)phenoxy]hexyl]imidazolidin-2-one
CID 493080
4-(1H-pyrrol-1-yl)-N-(4-(trifluoromethoxy)phenyl)piperidine-1-carboxamide
CID 24744859
3-(Piperidin-4-yl)-2-(2-(trifluoromethyl)phenoxy)pyridine
CID 44133672
4-(pyridin-4-yloxy)-N-(2-(trifluoromethoxy)benzyl)piperidine-1-carboxamide
CID 46871779
1-(3-Methoxy-4-pyridin-4-ylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
CID 122671525
1-[5-Cyclopropyl-4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea
CID 155558714
1-(4-Pyridyl)-3-[7-[4-(trifluoromethyl)phenoxy]heptyl]imidazolidin-2-one
CID 493082
N-[(2-methoxyphenyl)methyl]-2-pyrrol-1-ylacetamide
CID 6623074
N-((5-(4-fluoro-2-methoxyphenyl)pyridin-3-yl)methyl)pyrrolidine-1-carboxamide
CID 54583835
3-((5-(4-Fluoro-2-methoxyphenyl)pyridin-3-yl)methyl)-1,1-dimethylurea
CID 54586721
1-[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 137655657

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-pyridin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide (CID 46891217) is 3-pyridin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-pyridin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-pyridin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide is O=C(NCc1ccccc1OC(F)(F)F)N1CCC(c2ccncc2)C1.
What is the InChIKey of 3-pyridin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is QCMYNIHAZUWGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-18(20,21)26-16-4-2-1-3-14(16)11-23-17(25)24-10-7-15(12-24)13-5-8-22-9-6-13/h1-6,8-9,15H,7,10-12H2,(H,23,25).
What are the key properties of 3-pyridin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide?
3-pyridin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 46891217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).