5-[(4-ethylphenyl)sulfonylamino]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid

C20H25N3O4S — CID 53056810

IUPAC5-[(4-ethylphenyl)sulfonylamino]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCCc1ccc(S(=O)(=O)Nc2cc(C(=O)O)cnc2N2CCCC(C)C2)cc1
InChIInChI=1S/C20H25N3O4S/c1-3-15-6-8-17(9-7-15)28(26,27)22-18-11-16(20(24)25)12-21-19(18)23-10-4-5-14(2)13-23/h6-9,11-12,14,22H,3-5,10,13H2,1-2H3,(H,24,25)
InChIKeySPSGEMTXCQNSEO-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.38
Rot. Bonds6

About 5-[(4-ethylphenyl)sulfonylamino]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid

5-[(4-ethylphenyl)sulfonylamino]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 53056810) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 5-[(4-ethylphenyl)sulfonylamino]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-ethylphenyl)sulfonylamino]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
PubChem CID53056810
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name5-[(4-ethylphenyl)sulfonylamino]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCCc1ccc(S(=O)(=O)Nc2cc(C(=O)O)cnc2N2CCCC(C)C2)cc1
InChIInChI=1S/C20H25N3O4S/c1-3-15-6-8-17(9-7-15)28(26,27)22-18-11-16(20(24)25)12-21-19(18)23-10-4-5-14(2)13-23/h6-9,11-12,14,22H,3-5,10,13H2,1-2H3,(H,24,25)
InChIKeySPSGEMTXCQNSEO-UHFFFAOYSA-N
XLogP3.38
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-ethoxyphenyl)sulfonylamino]-6-[(3R)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 95065055
5-[(2,5-dimethoxyphenyl)sulfonylamino]-6-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 95065045
6-(azepan-1-yl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53056795
5-[(2,5-dimethoxyphenyl)sulfonylamino]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146056196
5-(benzenesulfonamido)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146071260
5-[(2,4-dimethylphenyl)sulfonylamino]-6-(3-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 53056762
6-(3-methylpiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81438369
3-[(3,4-dichlorophenyl)sulfonylamino]-4-(3-methylpiperidin-1-yl)benzoic acid
CID 46292378
N-(4-ethylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264445
5-[(2-methylphenyl)sulfonylamino]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 53056778
6-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-5-(thiophen-2-ylsulfonylamino)pyridine-3-carboxylic acid
CID 53056892
5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146056298

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylphenyl)sulfonylamino]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-[(4-ethylphenyl)sulfonylamino]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid (CID 53056810) is 5-[(4-ethylphenyl)sulfonylamino]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(4-ethylphenyl)sulfonylamino]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(4-ethylphenyl)sulfonylamino]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid is CCc1ccc(S(=O)(=O)Nc2cc(C(=O)O)cnc2N2CCCC(C)C2)cc1.
What is the InChIKey of 5-[(4-ethylphenyl)sulfonylamino]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is SPSGEMTXCQNSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-3-15-6-8-17(9-7-15)28(26,27)22-18-11-16(20(24)25)12-21-19(18)23-10-4-5-14(2)13-23/h6-9,11-12,14,22H,3-5,10,13H2,1-2H3,(H,24,25).
What are the key properties of 5-[(4-ethylphenyl)sulfonylamino]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
5-[(4-ethylphenyl)sulfonylamino]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 403.50 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylphenyl)sulfonylamino]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53056810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).