2-(4-benzylpiperidin-1-yl)-5-[(5-fluoro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid

C25H26FN3O4S — CID 53024528

IUPAC2-(4-benzylpiperidin-1-yl)-5-[(5-fluoro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1cnc(N2CCC(Cc3ccccc3)CC2)c(C(=O)O)c1
InChIInChI=1S/C25H26FN3O4S/c1-17-7-8-20(26)14-23(17)34(32,33)28-21-15-22(25(30)31)24(27-16-21)29-11-9-19(10-12-29)13-18-5-3-2-4-6-18/h2-8,14-16,19,28H,9-13H2,1H3,(H,30,31)
InChIKeyREORNWUSZSTXFS-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.49
Rot. Bonds7

About 2-(4-benzylpiperidin-1-yl)-5-[(5-fluoro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid

2-(4-benzylpiperidin-1-yl)-5-[(5-fluoro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid (PubChem CID 53024528) has the molecular formula C25H26FN3O4S and a molecular weight of 483.57 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-5-[(5-fluoro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-5-[(5-fluoro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
PubChem CID53024528
Molecular FormulaC25H26FN3O4S
Molecular Weight483.57 g/mol
Exact Mass483.16
IUPAC Name2-(4-benzylpiperidin-1-yl)-5-[(5-fluoro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1cnc(N2CCC(Cc3ccccc3)CC2)c(C(=O)O)c1
InChIInChI=1S/C25H26FN3O4S/c1-17-7-8-20(26)14-23(17)34(32,33)28-21-15-22(25(30)31)24(27-16-21)29-11-9-19(10-12-29)13-18-5-3-2-4-6-18/h2-8,14-16,19,28H,9-13H2,1H3,(H,30,31)
InChIKeyREORNWUSZSTXFS-UHFFFAOYSA-N
XLogP4.49
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylpiperidin-1-yl)-5-[(4-ethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 46292022
5-[(5-fluoro-2-methylphenyl)sulfonylamino]-2-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 53024935
2-(4-methylpiperidin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024598
6-(4-benzylpiperidin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53056744
2-pyrrolidin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53004779
5-[(3,4-dimethylphenyl)sulfonylamino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 53024764
5-(4-benzylpiperidin-1-yl)-2-[(2-methylphenyl)sulfonylamino]benzoic acid
CID 46325359
2-(azocan-1-yl)-5-[(2,5-difluorophenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054714
5-[(3-fluorophenyl)sulfonylamino]-2-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054781
5-fluoro-2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 71790232
5-[(5-fluoro-2-methylphenyl)sulfonylamino]-2-(4-methylpiperidin-1-yl)benzoic acid;2,2,2-trifluoroacetic acid
CID 146055048
2-(azocan-1-yl)-5-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 46292221

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-5-[(5-fluoro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-5-[(5-fluoro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid (CID 53024528) is 2-(4-benzylpiperidin-1-yl)-5-[(5-fluoro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-5-[(5-fluoro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-5-[(5-fluoro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid is Cc1ccc(F)cc1S(=O)(=O)Nc1cnc(N2CCC(Cc3ccccc3)CC2)c(C(=O)O)c1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-5-[(5-fluoro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The InChIKey is REORNWUSZSTXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O4S/c1-17-7-8-20(26)14-23(17)34(32,33)28-21-15-22(25(30)31)24(27-16-21)29-11-9-19(10-12-29)13-18-5-3-2-4-6-18/h2-8,14-16,19,28H,9-13H2,1H3,(H,30,31).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-5-[(5-fluoro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
2-(4-benzylpiperidin-1-yl)-5-[(5-fluoro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid has a molecular weight of 483.57 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-5-[(5-fluoro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 53024528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).