N-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methylsulfanyl]pyridine-3-carboxamide

C19H15FN2O2S — CID 46897256

IUPACN-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methylsulfanyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(SCc2ccccc2O)nc1
InChIInChI=1S/C19H15FN2O2S/c20-15-6-8-16(9-7-15)22-19(24)13-5-10-18(21-11-13)25-12-14-3-1-2-4-17(14)23/h1-11,23H,12H2,(H,22,24)
InChIKeyHBYVHGWAORLXSV-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.47
Rot. Bonds5

About N-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methylsulfanyl]pyridine-3-carboxamide

N-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methylsulfanyl]pyridine-3-carboxamide (PubChem CID 46897256) has the molecular formula C19H15FN2O2S and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methylsulfanyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methylsulfanyl]pyridine-3-carboxamide
PubChem CID46897256
Molecular FormulaC19H15FN2O2S
Molecular Weight354.41 g/mol
Exact Mass354.08
IUPAC NameN-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methylsulfanyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(SCc2ccccc2O)nc1
InChIInChI=1S/C19H15FN2O2S/c20-15-6-8-16(9-7-15)22-19(24)13-5-10-18(21-11-13)25-12-14-3-1-2-4-17(14)23/h1-11,23H,12H2,(H,22,24)
InChIKeyHBYVHGWAORLXSV-UHFFFAOYSA-N
XLogP4.47
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methylsulfanyl]pyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methylsulfanyl]pyridine-3-carboxamide (CID 46897256) is N-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methylsulfanyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methylsulfanyl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methylsulfanyl]pyridine-3-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc(SCc2ccccc2O)nc1.
What is the InChIKey of N-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methylsulfanyl]pyridine-3-carboxamide?
The InChIKey is HBYVHGWAORLXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2S/c20-15-6-8-16(9-7-15)22-19(24)13-5-10-18(21-11-13)25-12-14-3-1-2-4-17(14)23/h1-11,23H,12H2,(H,22,24).
What are the key properties of N-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methylsulfanyl]pyridine-3-carboxamide?
N-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methylsulfanyl]pyridine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methylsulfanyl]pyridine-3-carboxamide is sourced from PubChem (CID 46897256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).