2-(4-methylpiperidin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid

C21H27N3O4S — CID 53024598

IUPAC2-(4-methylpiperidin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCc1cc(C)c(S(=O)(=O)Nc2cnc(N3CCC(C)CC3)c(C(=O)O)c2)cc1C
InChIInChI=1S/C21H27N3O4S/c1-13-5-7-24(8-6-13)20-18(21(25)26)11-17(12-22-20)23-29(27,28)19-10-15(3)14(2)9-16(19)4/h9-13,23H,5-8H2,1-4H3,(H,25,26)
InChIKeyWWYOMXPLYWSMDX-UHFFFAOYSA-N
MW417.53 g/mol
LogP3.74
Rot. Bonds5

About 2-(4-methylpiperidin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid

2-(4-methylpiperidin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid (PubChem CID 53024598) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
PubChem CID53024598
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name2-(4-methylpiperidin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCc1cc(C)c(S(=O)(=O)Nc2cnc(N3CCC(C)CC3)c(C(=O)O)c2)cc1C
InChIInChI=1S/C21H27N3O4S/c1-13-5-7-24(8-6-13)20-18(21(25)26)11-17(12-22-20)23-29(27,28)19-10-15(3)14(2)9-16(19)4/h9-13,23H,5-8H2,1-4H3,(H,25,26)
InChIKeyWWYOMXPLYWSMDX-UHFFFAOYSA-N
XLogP3.74
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(3,4-dichlorophenyl)sulfonylamino]-2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054424
2-(4-benzylpiperidin-1-yl)-5-[(5-fluoro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024528
2-(dimethylamino)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53056716
4-methoxy-2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299666
2-(azocan-1-yl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054705
2-(azocan-1-yl)-5-[(3,5-dimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024812
4-fluoro-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299914
5-[(2,4-dimethylphenyl)sulfonylamino]-2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 93055555
5-[(2,4-dimethylphenyl)sulfonylamino]-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 92746313
5-amino-2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 53213920

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid (CID 53024598) is 2-(4-methylpiperidin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid is Cc1cc(C)c(S(=O)(=O)Nc2cnc(N3CCC(C)CC3)c(C(=O)O)c2)cc1C.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The InChIKey is WWYOMXPLYWSMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-13-5-7-24(8-6-13)20-18(21(25)26)11-17(12-22-20)23-29(27,28)19-10-15(3)14(2)9-16(19)4/h9-13,23H,5-8H2,1-4H3,(H,25,26).
What are the key properties of 2-(4-methylpiperidin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
2-(4-methylpiperidin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid has a molecular weight of 417.53 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 53024598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).