N-[4-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide

C15H10F3N3O2S — CID 47847759

IUPACN-[4-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
SMILESN#CCOc1ccc(NC(=O)c2cccnc2SC(F)(F)F)cc1
InChIInChI=1S/C15H10F3N3O2S/c16-15(17,18)24-14-12(2-1-8-20-14)13(22)21-10-3-5-11(6-4-10)23-9-7-19/h1-6,8H,9H2,(H,21,22)
InChIKeyNCDUCEAPVLXCAG-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.85
Rot. Bonds5

About N-[4-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide

N-[4-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide (PubChem CID 47847759) has the molecular formula C15H10F3N3O2S and a molecular weight of 353.33 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
PubChem CID47847759
Molecular FormulaC15H10F3N3O2S
Molecular Weight353.33 g/mol
Exact Mass353.04
IUPAC NameN-[4-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
SMILESN#CCOc1ccc(NC(=O)c2cccnc2SC(F)(F)F)cc1
InChIInChI=1S/C15H10F3N3O2S/c16-15(17,18)24-14-12(2-1-8-20-14)13(22)21-10-3-5-11(6-4-10)23-9-7-19/h1-6,8H,9H2,(H,21,22)
InChIKeyNCDUCEAPVLXCAG-UHFFFAOYSA-N
XLogP3.85
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-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

2-bromo-N-[4-(cyanomethoxy)phenyl]pyridine-3-carboxamide
CID 103751975
N-[3-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)benzamide
CID 55800264
N-[4-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 30874024
S-[4-[[2-(trifluoromethylsulfanyl)pyridine-3-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56576723
N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 47856894
N-[4-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 61058980
2-methylsulfanyl-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 2446896
2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 2111300
N-[4-(cyanomethoxy)phenyl]-4-(phenylcarbamoylamino)benzamide
CID 55372952
N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 78901674
4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide
CID 26114223
N-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide
CID 107703130

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide (CID 47847759) is N-[4-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide is N#CCOc1ccc(NC(=O)c2cccnc2SC(F)(F)F)cc1.
What is the InChIKey of N-[4-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is NCDUCEAPVLXCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2S/c16-15(17,18)24-14-12(2-1-8-20-14)13(22)21-10-3-5-11(6-4-10)23-9-7-19/h1-6,8H,9H2,(H,21,22).
What are the key properties of N-[4-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide?
N-[4-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 353.33 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 47847759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).