2-[(2-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide

C20H24FN3O2S — CID 3519221

IUPAC2-[(2-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cccnc1SCc1ccccc1F
InChIInChI=1S/C20H24FN3O2S/c21-18-7-2-1-5-16(18)15-27-20-17(6-3-8-23-20)19(25)22-9-4-10-24-11-13-26-14-12-24/h1-3,5-8H,4,9-15H2,(H,22,25)
InChIKeyOXYOFYTUIUSHMN-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.97
Rot. Bonds8

About 2-[(2-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide

2-[(2-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide (PubChem CID 3519221) has the molecular formula C20H24FN3O2S and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
PubChem CID3519221
Molecular FormulaC20H24FN3O2S
Molecular Weight389.50 g/mol
Exact Mass389.16
IUPAC Name2-[(2-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cccnc1SCc1ccccc1F
InChIInChI=1S/C20H24FN3O2S/c21-18-7-2-1-5-16(18)15-27-20-17(6-3-8-23-20)19(25)22-9-4-10-24-11-13-26-14-12-24/h1-3,5-8H,4,9-15H2,(H,22,25)
InChIKeyOXYOFYTUIUSHMN-UHFFFAOYSA-N
XLogP2.97
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide (CID 3519221) is 2-[(2-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide is O=C(NCCCN1CCOCC1)c1cccnc1SCc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
The InChIKey is OXYOFYTUIUSHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2S/c21-18-7-2-1-5-16(18)15-27-20-17(6-3-8-23-20)19(25)22-9-4-10-24-11-13-26-14-12-24/h1-3,5-8H,4,9-15H2,(H,22,25).
What are the key properties of 2-[(2-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
2-[(2-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 3519221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).