N-(4-fluorophenyl)-6-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propylsulfanyl]pyridine-3-carboxamide

C23H17FN4O5S — CID 46896369

IUPACN-(4-fluorophenyl)-6-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propylsulfanyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(SCCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)nc1
InChIInChI=1S/C23H17FN4O5S/c24-15-3-5-16(6-4-15)26-21(29)14-2-9-20(25-13-14)34-11-1-10-27-22(30)18-8-7-17(28(32)33)12-19(18)23(27)31/h2-9,12-13H,1,10-11H2,(H,26,29)
InChIKeyZSGFQIYXFDDLIT-UHFFFAOYSA-N
MW480.48 g/mol
LogP4.16
Rot. Bonds8

About N-(4-fluorophenyl)-6-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propylsulfanyl]pyridine-3-carboxamide

N-(4-fluorophenyl)-6-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propylsulfanyl]pyridine-3-carboxamide (PubChem CID 46896369) has the molecular formula C23H17FN4O5S and a molecular weight of 480.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propylsulfanyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propylsulfanyl]pyridine-3-carboxamide
PubChem CID46896369
Molecular FormulaC23H17FN4O5S
Molecular Weight480.48 g/mol
Exact Mass480.09
IUPAC NameN-(4-fluorophenyl)-6-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propylsulfanyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(SCCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)nc1
InChIInChI=1S/C23H17FN4O5S/c24-15-3-5-16(6-4-15)26-21(29)14-2-9-20(25-13-14)34-11-1-10-27-22(30)18-8-7-17(28(32)33)12-19(18)23(27)31/h2-9,12-13H,1,10-11H2,(H,26,29)
InChIKeyZSGFQIYXFDDLIT-UHFFFAOYSA-N
XLogP4.16
TPSA122.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-(4-fluorophenyl)-6-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propylsulfanyl]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 N-(4-fluorophenyl)-6-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propylsulfanyl]pyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propylsulfanyl]pyridine-3-carboxamide (CID 46896369) is N-(4-fluorophenyl)-6-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propylsulfanyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propylsulfanyl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propylsulfanyl]pyridine-3-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc(SCCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)nc1.
What is the InChIKey of N-(4-fluorophenyl)-6-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propylsulfanyl]pyridine-3-carboxamide?
The InChIKey is ZSGFQIYXFDDLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O5S/c24-15-3-5-16(6-4-15)26-21(29)14-2-9-20(25-13-14)34-11-1-10-27-22(30)18-8-7-17(28(32)33)12-19(18)23(27)31/h2-9,12-13H,1,10-11H2,(H,26,29).
What are the key properties of N-(4-fluorophenyl)-6-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propylsulfanyl]pyridine-3-carboxamide?
N-(4-fluorophenyl)-6-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propylsulfanyl]pyridine-3-carboxamide has a molecular weight of 480.48 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propylsulfanyl]pyridine-3-carboxamide is sourced from PubChem (CID 46896369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).