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

C19H23N3O4S — CID 53056795

IUPAC6-(azepan-1-yl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)O)cnc2N2CCCCCC2)cc1
InChIInChI=1S/C19H23N3O4S/c1-14-6-8-16(9-7-14)27(25,26)21-17-12-15(19(23)24)13-20-18(17)22-10-4-2-3-5-11-22/h6-9,12-13,21H,2-5,10-11H2,1H3,(H,23,24)
InChIKeyBXJLKLBZXGZBGN-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.27
Rot. Bonds5

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

6-(azepan-1-yl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid (PubChem CID 53056795) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 6-(azepan-1-yl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(azepan-1-yl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
PubChem CID53056795
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name6-(azepan-1-yl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)O)cnc2N2CCCCCC2)cc1
InChIInChI=1S/C19H23N3O4S/c1-14-6-8-16(9-7-14)27(25,26)21-17-12-15(19(23)24)13-20-18(17)22-10-4-2-3-5-11-22/h6-9,12-13,21H,2-5,10-11H2,1H3,(H,23,24)
InChIKeyBXJLKLBZXGZBGN-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(azepan-1-yl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2,4-dimethylphenyl)sulfonylamino]-6-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 53056820
2-(azocan-1-yl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054691
5-(benzenesulfonamido)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146071260
5-[(4-ethylphenyl)sulfonylamino]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 53056810
5-[(4-ethoxyphenyl)sulfonylamino]-6-[(3R)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 95065055
5-[(2,4-dimethylphenyl)sulfonylamino]-6-(3-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 53056762
3-[(4-methylphenyl)sulfonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
CID 46291882
5-[(2-methylphenyl)sulfonylamino]-6-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 53024994
5-[(2-methylphenyl)sulfonylamino]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 53056778
5-methyl-6-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 66935695
5-[(4-acetylphenyl)sulfonylamino]-2-(azocan-1-yl)pyridine-3-carboxylic acid
CID 53056707
3-[(4-methylphenyl)sulfonylamino]-4-(4-piperidin-1-ylpiperidin-1-yl)benzoic acid
CID 50767022

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-(azepan-1-yl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid (CID 53056795) is 6-(azepan-1-yl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(azepan-1-yl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-(azepan-1-yl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid is Cc1ccc(S(=O)(=O)Nc2cc(C(=O)O)cnc2N2CCCCCC2)cc1.
What is the InChIKey of 6-(azepan-1-yl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The InChIKey is BXJLKLBZXGZBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-14-6-8-16(9-7-14)27(25,26)21-17-12-15(19(23)24)13-20-18(17)22-10-4-2-3-5-11-22/h6-9,12-13,21H,2-5,10-11H2,1H3,(H,23,24).
What are the key properties of 6-(azepan-1-yl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
6-(azepan-1-yl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid has a molecular weight of 389.48 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 53056795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).