N-[5-[(3-cyanocyclobutyl)methyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide

C20H18F3N3O2 — CID 118211050

IUPACN-[5-[(3-cyanocyclobutyl)methyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
SMILESN#CC1CC(Cc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nc2)C1
InChIInChI=1S/C20H18F3N3O2/c21-20(22,23)28-17-3-1-2-13(9-17)10-19(27)26-18-5-4-14(12-25-18)6-15-7-16(8-15)11-24/h1-5,9,12,15-16H,6-8,10H2,(H,25,26,27)
InChIKeyFUXIOMKXDDIEKW-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.25
Rot. Bonds6

About N-[5-[(3-cyanocyclobutyl)methyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide

N-[5-[(3-cyanocyclobutyl)methyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 118211050) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is N-[5-[(3-cyanocyclobutyl)methyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(3-cyanocyclobutyl)methyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
PubChem CID118211050
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC NameN-[5-[(3-cyanocyclobutyl)methyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
SMILESN#CC1CC(Cc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nc2)C1
InChIInChI=1S/C20H18F3N3O2/c21-20(22,23)28-17-3-1-2-13(9-17)10-19(27)26-18-5-4-14(12-25-18)6-15-7-16(8-15)11-24/h1-5,9,12,15-16H,6-8,10H2,(H,25,26,27)
InChIKeyFUXIOMKXDDIEKW-UHFFFAOYSA-N
XLogP4.25
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-[(3-cyanocyclobutyl)methyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide 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

2-[3-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
CID 123193328
1-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridinyl]piperidine-4-carboxylic acid
CID 118212046
N-[6-(4-cyanobut-1-ynyl)pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 90165788
3-[1-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridinyl]ethyl]cyclohexane-1-carboxylic acid
CID 123263927
2-[3-(trifluoromethoxy)phenyl]-N-[6-[2-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]sulfanylethylsulfanyl]pyridazin-3-yl]acetamide
CID 147214018
2-(3-piperidin-4-ylphenyl)-N-[5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridinyl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 118211196
2-(3-piperidin-4-ylphenyl)-N-[5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridinyl]butyl]-1,3,4-thiadiazol-2-yl]acetamide;hydrochloride
CID 118211195
2-[3-(trifluoromethoxy)phenyl]acetohydrazide
CID 142471729
N-[6-(5-hydrazinyl-5-sulfanylidenepentyl)pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 142295007
N-[6-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 175828441
3-[3-(trifluoromethoxy)phenyl]propanoyl chloride
CID 22011082
N-[5-[(3-cyanocyclobutylidene)methyl]-2-pyridinyl]-2-(3-methylphenyl)acetamide
CID 122607397

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-cyanocyclobutyl)methyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[5-[(3-cyanocyclobutyl)methyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide (CID 118211050) is N-[5-[(3-cyanocyclobutyl)methyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[5-[(3-cyanocyclobutyl)methyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[5-[(3-cyanocyclobutyl)methyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide is N#CC1CC(Cc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nc2)C1.
What is the InChIKey of N-[5-[(3-cyanocyclobutyl)methyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is FUXIOMKXDDIEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c21-20(22,23)28-17-3-1-2-13(9-17)10-19(27)26-18-5-4-14(12-25-18)6-15-7-16(8-15)11-24/h1-5,9,12,15-16H,6-8,10H2,(H,25,26,27).
What are the key properties of N-[5-[(3-cyanocyclobutyl)methyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
N-[5-[(3-cyanocyclobutyl)methyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 389.38 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-cyanocyclobutyl)methyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 118211050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).