N-[(4-fluorophenyl)methyl]-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide

C21H20FN3O3S — CID 50795493

IUPACN-[(4-fluorophenyl)methyl]-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)c2cncc(C(=O)NCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C21H20FN3O3S/c1-15-3-9-20(10-4-15)29(27,28)25(2)19-11-17(13-23-14-19)21(26)24-12-16-5-7-18(22)8-6-16/h3-11,13-14H,12H2,1-2H3,(H,24,26)
InChIKeyQBUAVDAQDAIRPC-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.28
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide (PubChem CID 50795493) has the molecular formula C21H20FN3O3S and a molecular weight of 413.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide
PubChem CID50795493
Molecular FormulaC21H20FN3O3S
Molecular Weight413.47 g/mol
Exact Mass413.12
IUPAC NameN-[(4-fluorophenyl)methyl]-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)c2cncc(C(=O)NCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C21H20FN3O3S/c1-15-3-9-20(10-4-15)29(27,28)25(2)19-11-17(13-23-14-19)21(26)24-12-16-5-7-18(22)8-6-16/h3-11,13-14H,12H2,1-2H3,(H,24,26)
InChIKeyQBUAVDAQDAIRPC-UHFFFAOYSA-N
XLogP3.28
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 50795489
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
N-[(4-chlorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26912045
N-[[4-(methoxymethyl)phenyl]methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55615012
5-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 46345791
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 1210701
3-N-[2-(dimethylamino)ethyl]-5-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109104032
N-[(4-methylphenyl)methyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109232504
5-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 50795472
5-[2-(dimethylamino)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109229278
5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 53020754
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide (CID 50795493) is N-[(4-fluorophenyl)methyl]-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide is Cc1ccc(S(=O)(=O)N(C)c2cncc(C(=O)NCc3ccc(F)cc3)c2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide?
The InChIKey is QBUAVDAQDAIRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3S/c1-15-3-9-20(10-4-15)29(27,28)25(2)19-11-17(13-23-14-19)21(26)24-12-16-5-7-18(22)8-6-16/h3-11,13-14H,12H2,1-2H3,(H,24,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide is sourced from PubChem (CID 50795493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).