5-[(2,5-dimethoxyphenyl)sulfonylamino]-6-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid

C20H25N3O6S — CID 95065045

IUPAC5-[(2,5-dimethoxyphenyl)sulfonylamino]-6-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cc(C(=O)O)cnc2N2CCC[C@H](C)C2)c1
InChIInChI=1S/C20H25N3O6S/c1-13-5-4-8-23(12-13)19-16(9-14(11-21-19)20(24)25)22-30(26,27)18-10-15(28-2)6-7-17(18)29-3/h6-7,9-11,13,22H,4-5,8,12H2,1-3H3,(H,24,25)/t13-/m0/s1
InChIKeyLSSOHJFBVDVKHN-ZDUSSCGKSA-N
MW435.50 g/mol
LogP2.83
Rot. Bonds7

About 5-[(2,5-dimethoxyphenyl)sulfonylamino]-6-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid

5-[(2,5-dimethoxyphenyl)sulfonylamino]-6-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 95065045) has the molecular formula C20H25N3O6S and a molecular weight of 435.50 g/mol. Its IUPAC name is 5-[(2,5-dimethoxyphenyl)sulfonylamino]-6-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2,5-dimethoxyphenyl)sulfonylamino]-6-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID95065045
Molecular FormulaC20H25N3O6S
Molecular Weight435.50 g/mol
Exact Mass435.15
IUPAC Name5-[(2,5-dimethoxyphenyl)sulfonylamino]-6-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cc(C(=O)O)cnc2N2CCC[C@H](C)C2)c1
InChIInChI=1S/C20H25N3O6S/c1-13-5-4-8-23(12-13)19-16(9-14(11-21-19)20(24)25)22-30(26,27)18-10-15(28-2)6-7-17(18)29-3/h6-7,9-11,13,22H,4-5,8,12H2,1-3H3,(H,24,25)/t13-/m0/s1
InChIKeyLSSOHJFBVDVKHN-ZDUSSCGKSA-N
XLogP2.83
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[(2,5-dimethoxyphenyl)sulfonylamino]-6-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

5-[(2,5-dimethoxyphenyl)sulfonylamino]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146056196
5-[(4-ethoxyphenyl)sulfonylamino]-6-[(3R)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 95065055
5-[(4-ethylphenyl)sulfonylamino]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 53056810
2,5-dimethoxy-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113015691
5-[(2,4-dimethylphenyl)sulfonylamino]-6-(3-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 53056762
5-[(2-methylphenyl)sulfonylamino]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 53056778
5-[(2,5-dimethoxyphenyl)sulfonylamino]-2-(4-methylpiperidin-1-yl)benzoic acid
CID 50766586
5-[(2,4-dimethylphenyl)sulfonylamino]-6-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 53056820
4-[(2,5-dimethoxyphenyl)sulfonylamino]-3-hydroxybenzoic acid
CID 7720378
2,5-dimethoxy-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113010195
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]acetamide
CID 97023558
5-(benzenesulfonamido)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146071260

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethoxyphenyl)sulfonylamino]-6-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2,5-dimethoxyphenyl)sulfonylamino]-6-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid (CID 95065045) is 5-[(2,5-dimethoxyphenyl)sulfonylamino]-6-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2,5-dimethoxyphenyl)sulfonylamino]-6-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2,5-dimethoxyphenyl)sulfonylamino]-6-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid is COc1ccc(OC)c(S(=O)(=O)Nc2cc(C(=O)O)cnc2N2CCC[C@H](C)C2)c1.
What is the InChIKey of 5-[(2,5-dimethoxyphenyl)sulfonylamino]-6-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is LSSOHJFBVDVKHN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H25N3O6S/c1-13-5-4-8-23(12-13)19-16(9-14(11-21-19)20(24)25)22-30(26,27)18-10-15(28-2)6-7-17(18)29-3/h6-7,9-11,13,22H,4-5,8,12H2,1-3H3,(H,24,25)/t13-/m0/s1.
What are the key properties of 5-[(2,5-dimethoxyphenyl)sulfonylamino]-6-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid?
5-[(2,5-dimethoxyphenyl)sulfonylamino]-6-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 435.50 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethoxyphenyl)sulfonylamino]-6-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 95065045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).