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

C20H25N3O5S — CID 95065055

IUPAC5-[(4-ethoxyphenyl)sulfonylamino]-6-[(3R)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(C(=O)O)cnc2N2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C20H25N3O5S/c1-3-28-16-6-8-17(9-7-16)29(26,27)22-18-11-15(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)/t14-/m1/s1
InChIKeyPCXISJKUYBPSDM-CQSZACIVSA-N
MW419.50 g/mol
LogP3.22
Rot. Bonds7

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

5-[(4-ethoxyphenyl)sulfonylamino]-6-[(3R)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 95065055) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 5-[(4-ethoxyphenyl)sulfonylamino]-6-[(3R)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-ethoxyphenyl)sulfonylamino]-6-[(3R)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID95065055
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name5-[(4-ethoxyphenyl)sulfonylamino]-6-[(3R)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(C(=O)O)cnc2N2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C20H25N3O5S/c1-3-28-16-6-8-17(9-7-16)29(26,27)22-18-11-15(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)/t14-/m1/s1
InChIKeyPCXISJKUYBPSDM-CQSZACIVSA-N
XLogP3.22
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-ethylphenyl)sulfonylamino]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 53056810
5-[(2,5-dimethoxyphenyl)sulfonylamino]-6-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 95065045
5-[(2,5-dimethoxyphenyl)sulfonylamino]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146056196
5-[(2,4-dimethylphenyl)sulfonylamino]-6-(3-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 53056762
3-[(4-ethoxyphenyl)sulfonylamino]-4-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]benzoic acid
CID 92888089
5-(benzenesulfonamido)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146071260
N-[4,5-dimethoxy-2-(3-methylpiperidine-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 55544298
3-[(4-ethoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 50767046
5-[(2-methylphenyl)sulfonylamino]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 53056778
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
5-[(2,4-dimethylphenyl)sulfonylamino]-6-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 53056820

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxyphenyl)sulfonylamino]-6-[(3R)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(4-ethoxyphenyl)sulfonylamino]-6-[(3R)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid (CID 95065055) is 5-[(4-ethoxyphenyl)sulfonylamino]-6-[(3R)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(4-ethoxyphenyl)sulfonylamino]-6-[(3R)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(4-ethoxyphenyl)sulfonylamino]-6-[(3R)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid is CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)O)cnc2N2CCC[C@@H](C)C2)cc1.
What is the InChIKey of 5-[(4-ethoxyphenyl)sulfonylamino]-6-[(3R)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is PCXISJKUYBPSDM-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-3-28-16-6-8-17(9-7-16)29(26,27)22-18-11-15(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)/t14-/m1/s1.
What are the key properties of 5-[(4-ethoxyphenyl)sulfonylamino]-6-[(3R)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid?
5-[(4-ethoxyphenyl)sulfonylamino]-6-[(3R)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 419.50 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyphenyl)sulfonylamino]-6-[(3R)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 95065055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).