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

C24H26ClN5O4S — CID 134306514

IUPAC4-amino-1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid
SMILESCc1cccc(C)c1-c1nc(NS(=O)(=O)c2cccc(N3CCC(N)(C(=O)O)CC3)n2)ccc1Cl
InChIInChI=1S/C24H26ClN5O4S/c1-15-5-3-6-16(2)21(15)22-17(25)9-10-18(27-22)29-35(33,34)20-8-4-7-19(28-20)30-13-11-24(26,12-14-30)23(31)32/h3-10H,11-14,26H2,1-2H3,(H,27,29)(H,31,32)
InChIKeyKHCCIGWSVBAQHF-UHFFFAOYSA-N
MW516.02 g/mol
LogP3.60
Rot. Bonds6

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

4-amino-1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 134306514) has the molecular formula C24H26ClN5O4S and a molecular weight of 516.02 g/mol. Its IUPAC name is 4-amino-1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid
PubChem CID134306514
Molecular FormulaC24H26ClN5O4S
Molecular Weight516.02 g/mol
Exact Mass515.14
IUPAC Name4-amino-1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid
SMILESCc1cccc(C)c1-c1nc(NS(=O)(=O)c2cccc(N3CCC(N)(C(=O)O)CC3)n2)ccc1Cl
InChIInChI=1S/C24H26ClN5O4S/c1-15-5-3-6-16(2)21(15)22-17(25)9-10-18(27-22)29-35(33,34)20-8-4-7-19(28-20)30-13-11-24(26,12-14-30)23(31)32/h3-10H,11-14,26H2,1-2H3,(H,27,29)(H,31,32)
InChIKeyKHCCIGWSVBAQHF-UHFFFAOYSA-N
XLogP3.60
TPSA138.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.02
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-amino-1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyridine-2-sulfonamide
CID 134344518
N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-(3-oxopiperazin-1-yl)pyridine-2-sulfonamide
CID 134306410
4-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-oxopiperazine-1-carboxylic acid
CID 166706661
(3R)-1-[6-[[5-chloro-6-(2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid
CID 134328854
N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride
CID 134306979
N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-2-sulfonamide
CID 134306956
1-[6-[[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid
CID 155046808
tert-butyl 4-[6-[[5-chloro-6-(5-fluoro-2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 134306399
N-[5-chloro-6-(2-chloro-3-fluorophenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride
CID 134328946
(3R)-1-[6-[[6-(2-cyclopropylphenyl)-5-methyl-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid
CID 134306906
2-[[6-[[5-chloro-6-(2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 175167378
6-[(3R)-3-(dihydroxymethyl)-3-methylpiperidin-1-yl]-N-[5-methyl-6-(2-methylphenyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 166716850

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-amino-1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid (CID 134306514) is 4-amino-1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-amino-1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-amino-1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid is Cc1cccc(C)c1-c1nc(NS(=O)(=O)c2cccc(N3CCC(N)(C(=O)O)CC3)n2)ccc1Cl.
What is the InChIKey of 4-amino-1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid?
The InChIKey is KHCCIGWSVBAQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O4S/c1-15-5-3-6-16(2)21(15)22-17(25)9-10-18(27-22)29-35(33,34)20-8-4-7-19(28-20)30-13-11-24(26,12-14-30)23(31)32/h3-10H,11-14,26H2,1-2H3,(H,27,29)(H,31,32).
What are the key properties of 4-amino-1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid?
4-amino-1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid has a molecular weight of 516.02 g/mol, XLogP of 3.60, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 134306514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).