2-[(4-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide

C22H21FN2O2S — CID 55754249

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide
SMILESCN(CCOc1ccccc1)C(=O)c1cccnc1SCc1ccc(F)cc1
InChIInChI=1S/C22H21FN2O2S/c1-25(14-15-27-19-6-3-2-4-7-19)22(26)20-8-5-13-24-21(20)28-16-17-9-11-18(23)12-10-17/h2-13H,14-16H2,1H3
InChIKeyLRUXFIPAOSLDTR-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.66
Rot. Bonds8

About 2-[(4-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide

2-[(4-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide (PubChem CID 55754249) has the molecular formula C22H21FN2O2S and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide
PubChem CID55754249
Molecular FormulaC22H21FN2O2S
Molecular Weight396.49 g/mol
Exact Mass396.13
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide
SMILESCN(CCOc1ccccc1)C(=O)c1cccnc1SCc1ccc(F)cc1
InChIInChI=1S/C22H21FN2O2S/c1-25(14-15-27-19-6-3-2-4-7-19)22(26)20-8-5-13-24-21(20)28-16-17-9-11-18(23)12-10-17/h2-13H,14-16H2,1H3
InChIKeyLRUXFIPAOSLDTR-UHFFFAOYSA-N
XLogP4.66
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)methylsulfanyl]-N,N-bis(2-methoxyethyl)pyridine-3-carboxamide
CID 55787196
N-[2-(4-fluorophenoxy)ethyl]-N-methylquinoline-8-carboxamide
CID 18119617
N-[3-[benzyl(methyl)amino]propyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
CID 55756710
3-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645434
2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methoxy-2-phenylethyl)pyridine-3-carboxamide
CID 60543648
N-[2-(3-ethynylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methylsulfanyl]-N-methylpyridine-3-carboxamide
CID 55993864
phenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate
CID 60676113
2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 107358744
2-chloro-5-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 103891558
N-methyl-2-morpholin-4-yl-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 39300725
2-[(4-carbamoylphenyl)methylsulfanyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 86845531
N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 34472485

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide (CID 55754249) is 2-[(4-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide is CN(CCOc1ccccc1)C(=O)c1cccnc1SCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide?
The InChIKey is LRUXFIPAOSLDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2S/c1-25(14-15-27-19-6-3-2-4-7-19)22(26)20-8-5-13-24-21(20)28-16-17-9-11-18(23)12-10-17/h2-13H,14-16H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide?
2-[(4-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 55754249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).