6-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid

C18H21N3O4S — CID 122052821

IUPAC6-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2CCC(Nc3cccc(C(=O)O)n3)CC2)cc1
InChIInChI=1S/C18H21N3O4S/c1-13-5-7-15(8-6-13)26(24,25)21-11-9-14(10-12-21)19-17-4-2-3-16(20-17)18(22)23/h2-8,14H,9-12H2,1H3,(H,19,20)(H,22,23)
InChIKeyKSHADYBKJXLSPA-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.35
Rot. Bonds5

About 6-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid

6-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid (PubChem CID 122052821) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 6-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid
PubChem CID122052821
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name6-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2CCC(Nc3cccc(C(=O)O)n3)CC2)cc1
InChIInChI=1S/C18H21N3O4S/c1-13-5-7-15(8-6-13)26(24,25)21-11-9-14(10-12-21)19-17-4-2-3-16(20-17)18(22)23/h2-8,14H,9-12H2,1H3,(H,19,20)(H,22,23)
InChIKeyKSHADYBKJXLSPA-UHFFFAOYSA-N
XLogP2.35
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid
CID 122053952
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 91653166
6-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazin-2-amine
CID 75521032
3-tert-butyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489059
N-[4-[4-(pyridin-2-ylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 167788841
1-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 53497979
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-amine
CID 3977208
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 17484951
3-hydroxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108562939
6-[[4-(difluoromethyl)cyclohexyl]amino]pyridine-2-carboxylic acid
CID 122058210
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]azocane-1-carboxamide
CID 78833850

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid (CID 122052821) is 6-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid is Cc1ccc(S(=O)(=O)N2CCC(Nc3cccc(C(=O)O)n3)CC2)cc1.
What is the InChIKey of 6-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is KSHADYBKJXLSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13-5-7-15(8-6-13)26(24,25)21-11-9-14(10-12-21)19-17-4-2-3-16(20-17)18(22)23/h2-8,14H,9-12H2,1H3,(H,19,20)(H,22,23).
What are the key properties of 6-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid?
6-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 375.45 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122052821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).