N-(4-fluorophenyl)-6-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyridine-3-carboxamide

C22H17FN4OS — CID 46897539

IUPACN-(4-fluorophenyl)-6-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(SCc2ccc(-n3cccn3)cc2)nc1
InChIInChI=1S/C22H17FN4OS/c23-18-5-7-19(8-6-18)26-22(28)17-4-11-21(24-14-17)29-15-16-2-9-20(10-3-16)27-13-1-12-25-27/h1-14H,15H2,(H,26,28)
InChIKeyAYNRUMQQPHNWPH-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.95
Rot. Bonds6

About N-(4-fluorophenyl)-6-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyridine-3-carboxamide

N-(4-fluorophenyl)-6-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyridine-3-carboxamide (PubChem CID 46897539) has the molecular formula C22H17FN4OS and a molecular weight of 404.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyridine-3-carboxamide
PubChem CID46897539
Molecular FormulaC22H17FN4OS
Molecular Weight404.47 g/mol
Exact Mass404.11
IUPAC NameN-(4-fluorophenyl)-6-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(SCc2ccc(-n3cccn3)cc2)nc1
InChIInChI=1S/C22H17FN4OS/c23-18-5-7-19(8-6-18)26-22(28)17-4-11-21(24-14-17)29-15-16-2-9-20(10-3-16)27-13-1-12-25-27/h1-14H,15H2,(H,26,28)
InChIKeyAYNRUMQQPHNWPH-UHFFFAOYSA-N
XLogP4.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

SX-517
CID 46897162
1-phenyl-N-(pyridin-4-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 5161671
N-(4-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 9997084
2-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 10023225
N-(3,5-Dimethylphenyl)-2-(2-fluoropyridin-4-ylmethylthio)pyridine-3-carboxamide
CID 10067543
N-(3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 10337042
N-phenyl-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 10403803
N-[4-[3-(Trifluoromethyl)-5-(methylthio)-1H-pyrazole-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
CID 10524777
N-[3-(Trifluoromethyl)phenyl]-2-[(4-pyridylmethyl)thio]-3-pyridinecarboxamide
CID 23093933
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
[4-[[5-[(4-Fluorophenyl)carbamoyl]-2-pyridinyl]sulfanylmethyl]phenyl]boronic acid
CID 46897165

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyridine-3-carboxamide (CID 46897539) is N-(4-fluorophenyl)-6-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyridine-3-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc(SCc2ccc(-n3cccn3)cc2)nc1.
What is the InChIKey of N-(4-fluorophenyl)-6-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyridine-3-carboxamide?
The InChIKey is AYNRUMQQPHNWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4OS/c23-18-5-7-19(8-6-18)26-22(28)17-4-11-21(24-14-17)29-15-16-2-9-20(10-3-16)27-13-1-12-25-27/h1-14H,15H2,(H,26,28).
What are the key properties of N-(4-fluorophenyl)-6-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyridine-3-carboxamide?
N-(4-fluorophenyl)-6-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyridine-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyridine-3-carboxamide is sourced from PubChem (CID 46897539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).