N-(4-fluorophenyl)-6-(2-phenoxyethylsulfanyl)pyridine-3-carboxamide

C20H17FN2O2S — CID 46896585

IUPACN-(4-fluorophenyl)-6-(2-phenoxyethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(SCCOc2ccccc2)nc1
InChIInChI=1S/C20H17FN2O2S/c21-16-7-9-17(10-8-16)23-20(24)15-6-11-19(22-14-15)26-13-12-25-18-4-2-1-3-5-18/h1-11,14H,12-13H2,(H,23,24)
InChIKeyFWULLNGVSSXWLY-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.64
Rot. Bonds7

About N-(4-fluorophenyl)-6-(2-phenoxyethylsulfanyl)pyridine-3-carboxamide

N-(4-fluorophenyl)-6-(2-phenoxyethylsulfanyl)pyridine-3-carboxamide (PubChem CID 46896585) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-(2-phenoxyethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-(2-phenoxyethylsulfanyl)pyridine-3-carboxamide
PubChem CID46896585
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC NameN-(4-fluorophenyl)-6-(2-phenoxyethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(SCCOc2ccccc2)nc1
InChIInChI=1S/C20H17FN2O2S/c21-16-7-9-17(10-8-16)23-20(24)15-6-11-19(22-14-15)26-13-12-25-18-4-2-1-3-5-18/h1-11,14H,12-13H2,(H,23,24)
InChIKeyFWULLNGVSSXWLY-UHFFFAOYSA-N
XLogP4.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-6-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridine-3-carboxamide
CID 46897731
N-(4-fluorophenyl)-6-[2-(N-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide
CID 15980915
4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide
CID 17386974
N-phenyl-4-(2-phenylsulfanylethoxy)benzamide
CID 46762944
6-[2-[(4-ethoxybenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide
CID 50843863
6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 91937265
[6-[2-(4-fluorophenoxy)ethylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 47021058
N-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28635830
6-[2-(3-bromophenyl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 91937266
N-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 38003479
6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 46262434
6-[2-[(4-chlorobenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide
CID 50843835

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-(2-phenoxyethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-(2-phenoxyethylsulfanyl)pyridine-3-carboxamide (CID 46896585) is N-(4-fluorophenyl)-6-(2-phenoxyethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-(2-phenoxyethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-(2-phenoxyethylsulfanyl)pyridine-3-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc(SCCOc2ccccc2)nc1.
What is the InChIKey of N-(4-fluorophenyl)-6-(2-phenoxyethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is FWULLNGVSSXWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c21-16-7-9-17(10-8-16)23-20(24)15-6-11-19(22-14-15)26-13-12-25-18-4-2-1-3-5-18/h1-11,14H,12-13H2,(H,23,24).
What are the key properties of N-(4-fluorophenyl)-6-(2-phenoxyethylsulfanyl)pyridine-3-carboxamide?
N-(4-fluorophenyl)-6-(2-phenoxyethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-(2-phenoxyethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 46896585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).