2-[3-(4-fluorophenyl)propylsulfanyl]-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide

C26H23FN2OS — CID 67521339

IUPAC2-[3-(4-fluorophenyl)propylsulfanyl]-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccc2ccccc2c1)c1cccnc1SCCCc1ccc(F)cc1
InChIInChI=1S/C26H23FN2OS/c27-23-13-10-19(11-14-23)5-4-16-31-26-24(8-3-15-28-26)25(30)29-18-20-9-12-21-6-1-2-7-22(21)17-20/h1-3,6-15,17H,4-5,16,18H2,(H,29,30)
InChIKeyHVDFLPISQDFEQD-UHFFFAOYSA-N
MW430.55 g/mol
LogP6.03
Rot. Bonds8

About 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide

2-[3-(4-fluorophenyl)propylsulfanyl]-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 67521339) has the molecular formula C26H23FN2OS and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)propylsulfanyl]-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID67521339
Molecular FormulaC26H23FN2OS
Molecular Weight430.55 g/mol
Exact Mass430.15
IUPAC Name2-[3-(4-fluorophenyl)propylsulfanyl]-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccc2ccccc2c1)c1cccnc1SCCCc1ccc(F)cc1
InChIInChI=1S/C26H23FN2OS/c27-23-13-10-19(11-14-23)5-4-16-31-26-24(8-3-15-28-26)25(30)29-18-20-9-12-21-6-1-2-7-22(21)17-20/h1-3,6-15,17H,4-5,16,18H2,(H,29,30)
InChIKeyHVDFLPISQDFEQD-UHFFFAOYSA-N
XLogP6.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-fluorophenyl)propylsulfanyl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 67521454
N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(4-fluorophenyl)propylsulfanyl]pyridine-3-carboxamide
CID 46909311
2-[(3-bromophenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 16719157
2-[2-(benzenesulfonyl)propylsulfanyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 141230980
2-[(4-fluorophenyl)methylsulfanyl]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 55760131
2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 25222085
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[3-(4-methoxyphenyl)propylsulfanyl]pyridine-3-carboxamide
CID 46909518
N-[(3-fluoro-4-methylphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 18153619
2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(3,5-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 25220963
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
CID 55972508
2-[3-(4-fluorophenyl)propylsulfanyl]-4-methyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 59487303
2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methoxy-2-phenylethyl)pyridine-3-carboxamide
CID 60543648

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide (CID 67521339) is 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ccc2ccccc2c1)c1cccnc1SCCCc1ccc(F)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is HVDFLPISQDFEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2OS/c27-23-13-10-19(11-14-23)5-4-16-31-26-24(8-3-15-28-26)25(30)29-18-20-9-12-21-6-1-2-7-22(21)17-20/h1-3,6-15,17H,4-5,16,18H2,(H,29,30).
What are the key properties of 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide?
2-[3-(4-fluorophenyl)propylsulfanyl]-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 6.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 67521339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).