6-[(3,4-dichlorophenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide

C19H13Cl2FN2OS — CID 46897452

IUPAC6-[(3,4-dichlorophenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(SCc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C19H13Cl2FN2OS/c20-16-7-1-12(9-17(16)21)11-26-18-8-2-13(10-23-18)19(25)24-15-5-3-14(22)4-6-15/h1-10H,11H2,(H,24,25)
InChIKeyKQSOSKKYANTPHD-UHFFFAOYSA-N
MW407.30 g/mol
LogP6.07
Rot. Bonds5

About 6-[(3,4-dichlorophenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide

6-[(3,4-dichlorophenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 46897452) has the molecular formula C19H13Cl2FN2OS and a molecular weight of 407.30 g/mol. Its IUPAC name is 6-[(3,4-dichlorophenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3,4-dichlorophenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide
PubChem CID46897452
Molecular FormulaC19H13Cl2FN2OS
Molecular Weight407.30 g/mol
Exact Mass406.01
IUPAC Name6-[(3,4-dichlorophenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(SCc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C19H13Cl2FN2OS/c20-16-7-1-12(9-17(16)21)11-26-18-8-2-13(10-23-18)19(25)24-15-5-3-14(22)4-6-15/h1-10H,11H2,(H,24,25)
InChIKeyKQSOSKKYANTPHD-UHFFFAOYSA-N
XLogP6.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.30
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

SX-517
CID 46897162
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2-[(2-chloro-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
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CID 10403803
N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 10450827
N-(3-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
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N-(4-Chlorophenyl)-2-(4-pyridylmethylthio)pyridine-3-carboxamide
CID 11725783
6-benzylsulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 44775716
[4-Fluoro-2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]sulfanylmethyl]phenyl]boronic acid
CID 46896782
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CID 46897165

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dichlorophenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-[(3,4-dichlorophenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide (CID 46897452) is 6-[(3,4-dichlorophenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3,4-dichlorophenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(3,4-dichlorophenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc(SCc2ccc(Cl)c(Cl)c2)nc1.
What is the InChIKey of 6-[(3,4-dichlorophenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is KQSOSKKYANTPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2FN2OS/c20-16-7-1-12(9-17(16)21)11-26-18-8-2-13(10-23-18)19(25)24-15-5-3-14(22)4-6-15/h1-10H,11H2,(H,24,25).
What are the key properties of 6-[(3,4-dichlorophenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide?
6-[(3,4-dichlorophenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 407.30 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dichlorophenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 46897452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).