5-[(2-methylphenyl)sulfonylamino]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid

C19H23N3O4S — CID 53056778

IUPAC5-[(2-methylphenyl)sulfonylamino]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCc1ccccc1S(=O)(=O)Nc1cc(C(=O)O)cnc1N1CCC(C)CC1
InChIInChI=1S/C19H23N3O4S/c1-13-7-9-22(10-8-13)18-16(11-15(12-20-18)19(23)24)21-27(25,26)17-6-4-3-5-14(17)2/h3-6,11-13,21H,7-10H2,1-2H3,(H,23,24)
InChIKeyIHAVNJYQJUGUBU-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.13
Rot. Bonds5

About 5-[(2-methylphenyl)sulfonylamino]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid

5-[(2-methylphenyl)sulfonylamino]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 53056778) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 5-[(2-methylphenyl)sulfonylamino]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylphenyl)sulfonylamino]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
PubChem CID53056778
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name5-[(2-methylphenyl)sulfonylamino]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCc1ccccc1S(=O)(=O)Nc1cc(C(=O)O)cnc1N1CCC(C)CC1
InChIInChI=1S/C19H23N3O4S/c1-13-7-9-22(10-8-13)18-16(11-15(12-20-18)19(23)24)21-27(25,26)17-6-4-3-5-14(17)2/h3-6,11-13,21H,7-10H2,1-2H3,(H,23,24)
InChIKeyIHAVNJYQJUGUBU-UHFFFAOYSA-N
XLogP3.13
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methylphenyl)sulfonylamino]-6-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 53024994
5-(benzenesulfonamido)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146071260
6-(4-benzylpiperidin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53056744
5-[(2,4-dimethylphenyl)sulfonylamino]-6-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 53056820
6-(azepan-1-yl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53056795
5-[(2,4-dimethylphenyl)sulfonylamino]-6-(3-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 53056762
5-[(2,5-dimethoxyphenyl)sulfonylamino]-6-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 95065045
5-[(4-ethoxyphenyl)sulfonylamino]-6-[(3R)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 95065055
2-(4-methylpiperidin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024598
5-[(4-ethylphenyl)sulfonylamino]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 53056810
4-fluoro-3-[(2-methylphenyl)sulfonylamino]benzoic acid
CID 63000199
3-[(2-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 50767039

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)sulfonylamino]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2-methylphenyl)sulfonylamino]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid (CID 53056778) is 5-[(2-methylphenyl)sulfonylamino]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2-methylphenyl)sulfonylamino]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2-methylphenyl)sulfonylamino]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid is Cc1ccccc1S(=O)(=O)Nc1cc(C(=O)O)cnc1N1CCC(C)CC1.
What is the InChIKey of 5-[(2-methylphenyl)sulfonylamino]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is IHAVNJYQJUGUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13-7-9-22(10-8-13)18-16(11-15(12-20-18)19(23)24)21-27(25,26)17-6-4-3-5-14(17)2/h3-6,11-13,21H,7-10H2,1-2H3,(H,23,24).
What are the key properties of 5-[(2-methylphenyl)sulfonylamino]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
5-[(2-methylphenyl)sulfonylamino]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 389.48 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenyl)sulfonylamino]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53056778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).