2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide

C19H15FN4O2S — CID 3713328

IUPAC2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(Sc2ncccc2C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C19H15FN4O2S/c1-12(25)23-17-9-8-15(11-22-17)27-19-16(3-2-10-21-19)18(26)24-14-6-4-13(20)5-7-14/h2-11H,1H3,(H,24,26)(H,22,23,25)
InChIKeyGZKSGGUOGSWEIA-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.98
Rot. Bonds5

About 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide

2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 3713328) has the molecular formula C19H15FN4O2S and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide
PubChem CID3713328
Molecular FormulaC19H15FN4O2S
Molecular Weight382.42 g/mol
Exact Mass382.09
IUPAC Name2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(Sc2ncccc2C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C19H15FN4O2S/c1-12(25)23-17-9-8-15(11-22-17)27-19-16(3-2-10-21-19)18(26)24-14-6-4-13(20)5-7-14/h2-11H,1H3,(H,24,26)(H,22,23,25)
InChIKeyGZKSGGUOGSWEIA-UHFFFAOYSA-N
XLogP3.98
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide (CID 3713328) is 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide is CC(=O)Nc1ccc(Sc2ncccc2C(=O)Nc2ccc(F)cc2)cn1.
What is the InChIKey of 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is GZKSGGUOGSWEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S/c1-12(25)23-17-9-8-15(11-22-17)27-19-16(3-2-10-21-19)18(26)24-14-6-4-13(20)5-7-14/h2-11H,1H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide?
2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 3713328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).