4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide

C20H21FN6O3S — CID 121284862

IUPAC4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H21FN6O3S/c1-22-20(28)14-12-24-19(26-18-9-8-13(21)11-23-18)10-16(14)25-15-6-4-5-7-17(15)31(29,30)27(2)3/h4-12H,1-3H3,(H,22,28)(H2,23,24,25,26)
InChIKeyKUEUJKGHQVVMAD-UHFFFAOYSA-N
MW444.49 g/mol
LogP2.71
Rot. Bonds7

About 4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide

4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide (PubChem CID 121284862) has the molecular formula C20H21FN6O3S and a molecular weight of 444.49 g/mol. Its IUPAC name is 4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
PubChem CID121284862
Molecular FormulaC20H21FN6O3S
Molecular Weight444.49 g/mol
Exact Mass444.14
IUPAC Name4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H21FN6O3S/c1-22-20(28)14-12-24-19(26-18-9-8-13(21)11-23-18)10-16(14)25-15-6-4-5-7-17(15)31(29,30)27(2)3/h4-12H,1-3H3,(H,22,28)(H2,23,24,25,26)
InChIKeyKUEUJKGHQVVMAD-UHFFFAOYSA-N
XLogP2.71
TPSA116.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-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 4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide (CID 121284862) is 4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(=O)(=O)N(C)C.
What is the InChIKey of 4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The InChIKey is KUEUJKGHQVVMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O3S/c1-22-20(28)14-12-24-19(26-18-9-8-13(21)11-23-18)10-16(14)25-15-6-4-5-7-17(15)31(29,30)27(2)3/h4-12H,1-3H3,(H,22,28)(H2,23,24,25,26).
What are the key properties of 4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 2.71, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 121284862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).