2-(4-benzylpiperidin-1-yl)-5-[(4-ethylphenyl)sulfonylamino]pyridine-3-carboxylic acid

C26H29N3O4S — CID 46292022

IUPAC2-(4-benzylpiperidin-1-yl)-5-[(4-ethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCCc1ccc(S(=O)(=O)Nc2cnc(N3CCC(Cc4ccccc4)CC3)c(C(=O)O)c2)cc1
InChIInChI=1S/C26H29N3O4S/c1-2-19-8-10-23(11-9-19)34(32,33)28-22-17-24(26(30)31)25(27-18-22)29-14-12-21(13-15-29)16-20-6-4-3-5-7-20/h3-11,17-18,21,28H,2,12-16H2,1H3,(H,30,31)
InChIKeyBANHSXBIEIQDTP-UHFFFAOYSA-N
MW479.60 g/mol
LogP4.60
Rot. Bonds8

About 2-(4-benzylpiperidin-1-yl)-5-[(4-ethylphenyl)sulfonylamino]pyridine-3-carboxylic acid

2-(4-benzylpiperidin-1-yl)-5-[(4-ethylphenyl)sulfonylamino]pyridine-3-carboxylic acid (PubChem CID 46292022) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-5-[(4-ethylphenyl)sulfonylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-5-[(4-ethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
PubChem CID46292022
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC Name2-(4-benzylpiperidin-1-yl)-5-[(4-ethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCCc1ccc(S(=O)(=O)Nc2cnc(N3CCC(Cc4ccccc4)CC3)c(C(=O)O)c2)cc1
InChIInChI=1S/C26H29N3O4S/c1-2-19-8-10-23(11-9-19)34(32,33)28-22-17-24(26(30)31)25(27-18-22)29-14-12-21(13-15-29)16-20-6-4-3-5-7-20/h3-11,17-18,21,28H,2,12-16H2,1H3,(H,30,31)
InChIKeyBANHSXBIEIQDTP-UHFFFAOYSA-N
XLogP4.60
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylpiperidin-1-yl)-5-[(5-fluoro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024528
5-[(4-ethylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid
CID 53056710
2-(4-benzylpiperidin-1-yl)-5-[(4-ethoxyphenyl)sulfonylamino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146054962
5-[(4-acetylphenyl)sulfonylamino]-2-(azocan-1-yl)pyridine-3-carboxylic acid
CID 53056707
5-[(3,5-dimethylphenyl)sulfonylamino]-2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 53024663
2-(azocan-1-yl)-5-[(4-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024789
2-(azocan-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024798
N-benzyl-5-[(4-fluorophenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108205
2-(azocan-1-yl)-5-[(3,5-dimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024812
2-(4-benzylpiperidin-1-yl)-5-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
CID 1064347
5-[(3-fluorophenyl)sulfonylamino]-2-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054781
2-pyrrolidin-1-yl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pyridine-3-carboxylic acid
CID 53004776

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-5-[(4-ethylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-5-[(4-ethylphenyl)sulfonylamino]pyridine-3-carboxylic acid (CID 46292022) is 2-(4-benzylpiperidin-1-yl)-5-[(4-ethylphenyl)sulfonylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-5-[(4-ethylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-5-[(4-ethylphenyl)sulfonylamino]pyridine-3-carboxylic acid is CCc1ccc(S(=O)(=O)Nc2cnc(N3CCC(Cc4ccccc4)CC3)c(C(=O)O)c2)cc1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-5-[(4-ethylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The InChIKey is BANHSXBIEIQDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-2-19-8-10-23(11-9-19)34(32,33)28-22-17-24(26(30)31)25(27-18-22)29-14-12-21(13-15-29)16-20-6-4-3-5-7-20/h3-11,17-18,21,28H,2,12-16H2,1H3,(H,30,31).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-5-[(4-ethylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
2-(4-benzylpiperidin-1-yl)-5-[(4-ethylphenyl)sulfonylamino]pyridine-3-carboxylic acid has a molecular weight of 479.60 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-5-[(4-ethylphenyl)sulfonylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 46292022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).