N-(4-hydroxyphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide

C22H17N3O2S — CID 11846554

IUPACN-(4-hydroxyphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1cccnc1SCc1ccnc2ccccc12
InChIInChI=1S/C22H17N3O2S/c26-17-9-7-16(8-10-17)25-21(27)19-5-3-12-24-22(19)28-14-15-11-13-23-20-6-2-1-4-18(15)20/h1-13,26H,14H2,(H,25,27)
InChIKeyQGSSDKULSMZQPH-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.88
Rot. Bonds5

About N-(4-hydroxyphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide

N-(4-hydroxyphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide (PubChem CID 11846554) has the molecular formula C22H17N3O2S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide
PubChem CID11846554
Molecular FormulaC22H17N3O2S
Molecular Weight387.46 g/mol
Exact Mass387.10
IUPAC NameN-(4-hydroxyphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1cccnc1SCc1ccnc2ccccc12
InChIInChI=1S/C22H17N3O2S/c26-17-9-7-16(8-10-17)25-21(27)19-5-3-12-24-22(19)28-14-15-11-13-23-20-6-2-1-4-18(15)20/h1-13,26H,14H2,(H,25,27)
InChIKeyQGSSDKULSMZQPH-UHFFFAOYSA-N
XLogP4.88
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide (CID 11846554) is N-(4-hydroxyphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide is O=C(Nc1ccc(O)cc1)c1cccnc1SCc1ccnc2ccccc12.
What is the InChIKey of N-(4-hydroxyphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is QGSSDKULSMZQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2S/c26-17-9-7-16(8-10-17)25-21(27)19-5-3-12-24-22(19)28-14-15-11-13-23-20-6-2-1-4-18(15)20/h1-13,26H,14H2,(H,25,27).
What are the key properties of N-(4-hydroxyphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
N-(4-hydroxyphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 11846554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).