4-(3-amino-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-3-carboxamide

C24H19FN4O3S — CID 10183163

IUPAC4-(3-amino-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-3-carboxamide
SMILESNc1cc(-c2ccncc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)ccc1F
InChIInChI=1S/C24H19FN4O3S/c25-21-10-7-16(13-22(21)26)18-11-12-28-14-20(18)24(30)29-17-8-5-15(6-9-17)19-3-1-2-4-23(19)33(27,31)32/h1-14H,26H2,(H,29,30)(H2,27,31,32)
InChIKeyBQUXHSSMNJVVMU-UHFFFAOYSA-N
MW462.51 g/mol
LogP4.04
Rot. Bonds5

About 4-(3-amino-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-3-carboxamide

4-(3-amino-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-3-carboxamide (PubChem CID 10183163) has the molecular formula C24H19FN4O3S and a molecular weight of 462.51 g/mol. Its IUPAC name is 4-(3-amino-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(3-amino-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-3-carboxamide
PubChem CID10183163
Molecular FormulaC24H19FN4O3S
Molecular Weight462.51 g/mol
Exact Mass462.12
IUPAC Name4-(3-amino-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-3-carboxamide
SMILESNc1cc(-c2ccncc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)ccc1F
InChIInChI=1S/C24H19FN4O3S/c25-21-10-7-16(13-22(21)26)18-11-12-28-14-20(18)24(30)29-17-8-5-15(6-9-17)19-3-1-2-4-23(19)33(27,31)32/h1-14H,26H2,(H,29,30)(H2,27,31,32)
InChIKeyBQUXHSSMNJVVMU-UHFFFAOYSA-N
XLogP4.04
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 4-(3-amino-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-3-carboxamide (CID 10183163) is 4-(3-amino-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-(3-amino-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 4-(3-amino-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-3-carboxamide is Nc1cc(-c2ccncc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)ccc1F.
What is the InChIKey of 4-(3-amino-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-3-carboxamide?
The InChIKey is BQUXHSSMNJVVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3S/c25-21-10-7-16(13-22(21)26)18-11-12-28-14-20(18)24(30)29-17-8-5-15(6-9-17)19-3-1-2-4-23(19)33(27,31)32/h1-14H,26H2,(H,29,30)(H2,27,31,32).
What are the key properties of 4-(3-amino-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-3-carboxamide?
4-(3-amino-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-3-carboxamide has a molecular weight of 462.51 g/mol, XLogP of 4.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 10183163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).