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

C21H23FN6O3S — CID 123250140

IUPAC4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H23FN6O3S/c1-27(2)21(29)15-13-24-20(26-19-10-9-14(22)12-23-19)11-17(15)25-16-7-5-6-8-18(16)32(30,31)28(3)4/h5-13H,1-4H3,(H2,23,24,25,26)
InChIKeyDOROSHXAHDBQEX-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.06
Rot. Bonds7

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

4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 123250140) has the molecular formula C21H23FN6O3S and a molecular weight of 458.52 g/mol. Its IUPAC name is 4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID123250140
Molecular FormulaC21H23FN6O3S
Molecular Weight458.52 g/mol
Exact Mass458.15
IUPAC Name4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H23FN6O3S/c1-27(2)21(29)15-13-24-20(26-19-10-9-14(22)12-23-19)11-17(15)25-16-7-5-6-8-18(16)32(30,31)28(3)4/h5-13H,1-4H3,(H2,23,24,25,26)
InChIKeyDOROSHXAHDBQEX-UHFFFAOYSA-N
XLogP3.06
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N,N-dimethylpyridine-3-carboxamide (CID 123250140) is 4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=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,N-dimethylpyridine-3-carboxamide?
The InChIKey is DOROSHXAHDBQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O3S/c1-27(2)21(29)15-13-24-20(26-19-10-9-14(22)12-23-19)11-17(15)25-16-7-5-6-8-18(16)32(30,31)28(3)4/h5-13H,1-4H3,(H2,23,24,25,26).
What are the key properties of 4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N,N-dimethylpyridine-3-carboxamide?
4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 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,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 123250140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).