1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-ethylpiperidine-4-carboxylic acid

C26H29ClN4O4S — CID 134306386

IUPAC1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2cccc(S(=O)(=O)Nc3ccc(Cl)c(-c4c(C)cccc4C)n3)n2)CC1
InChIInChI=1S/C26H29ClN4O4S/c1-4-26(25(32)33)13-15-31(16-14-26)21-9-6-10-22(29-21)36(34,35)30-20-12-11-19(27)24(28-20)23-17(2)7-5-8-18(23)3/h5-12H,4,13-16H2,1-3H3,(H,28,30)(H,32,33)
InChIKeyCGQLMXQZXICWDG-UHFFFAOYSA-N
MW529.06 g/mol
LogP5.30
Rot. Bonds7

About 1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-ethylpiperidine-4-carboxylic acid

1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-ethylpiperidine-4-carboxylic acid (PubChem CID 134306386) has the molecular formula C26H29ClN4O4S and a molecular weight of 529.06 g/mol. Its IUPAC name is 1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-ethylpiperidine-4-carboxylic acid
PubChem CID134306386
Molecular FormulaC26H29ClN4O4S
Molecular Weight529.06 g/mol
Exact Mass528.16
IUPAC Name1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2cccc(S(=O)(=O)Nc3ccc(Cl)c(-c4c(C)cccc4C)n3)n2)CC1
InChIInChI=1S/C26H29ClN4O4S/c1-4-26(25(32)33)13-15-31(16-14-26)21-9-6-10-22(29-21)36(34,35)30-20-12-11-19(27)24(28-20)23-17(2)7-5-8-18(23)3/h5-12H,4,13-16H2,1-3H3,(H,28,30)(H,32,33)
InChIKeyCGQLMXQZXICWDG-UHFFFAOYSA-N
XLogP5.30
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.06
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-ethylpiperidine-4-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

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-ethylpiperidine-4-carboxylic acid (CID 134306386) is 1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-ethylpiperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(c2cccc(S(=O)(=O)Nc3ccc(Cl)c(-c4c(C)cccc4C)n3)n2)CC1.
What is the InChIKey of 1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-ethylpiperidine-4-carboxylic acid?
The InChIKey is CGQLMXQZXICWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O4S/c1-4-26(25(32)33)13-15-31(16-14-26)21-9-6-10-22(29-21)36(34,35)30-20-12-11-19(27)24(28-20)23-17(2)7-5-8-18(23)3/h5-12H,4,13-16H2,1-3H3,(H,28,30)(H,32,33).
What are the key properties of 1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-ethylpiperidine-4-carboxylic acid?
1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-ethylpiperidine-4-carboxylic acid has a molecular weight of 529.06 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 134306386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).