[2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate

C20H23N3O7S — CID 23799275

IUPAC[2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2cc(O)[nH]c(=O)c2)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H23N3O7S/c1-13-5-6-15(16(9-13)31(28,29)23-7-3-2-4-8-23)21-19(26)12-30-20(27)14-10-17(24)22-18(25)11-14/h5-6,9-11H,2-4,7-8,12H2,1H3,(H,21,26)(H2,22,24,25)
InChIKeyXPEUQVYPHSUNOL-UHFFFAOYSA-N
MW449.49 g/mol
LogP1.36
Rot. Bonds6

About [2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate

[2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate (PubChem CID 23799275) has the molecular formula C20H23N3O7S and a molecular weight of 449.49 g/mol. Its IUPAC name is [2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
PubChem CID23799275
Molecular FormulaC20H23N3O7S
Molecular Weight449.49 g/mol
Exact Mass449.13
IUPAC Name[2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2cc(O)[nH]c(=O)c2)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H23N3O7S/c1-13-5-6-15(16(9-13)31(28,29)23-7-3-2-4-8-23)21-19(26)12-30-20(27)14-10-17(24)22-18(25)11-14/h5-6,9-11H,2-4,7-8,12H2,1H3,(H,21,26)(H2,22,24,25)
InChIKeyXPEUQVYPHSUNOL-UHFFFAOYSA-N
XLogP1.36
TPSA145.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide
CID 35203349
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate
CID 42969806
[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 4-hydroxybenzoate
CID 5218006
[2-(2,5-difluoroanilino)-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
CID 23877745
[2-(2-methoxyanilino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate
CID 2550543
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 8761576
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2513870
[2-(2-methylanilino)-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 2557921
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2553575
[2-(3-methylanilino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806936
[2-(2,5-difluoroanilino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate
CID 16509137
[2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate
CID 6591243

Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of [2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate (CID 23799275) is [2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for [2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for [2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate is Cc1ccc(NC(=O)COC(=O)c2cc(O)[nH]c(=O)c2)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of [2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate?
The InChIKey is XPEUQVYPHSUNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O7S/c1-13-5-6-15(16(9-13)31(28,29)23-7-3-2-4-8-23)21-19(26)12-30-20(27)14-10-17(24)22-18(25)11-14/h5-6,9-11H,2-4,7-8,12H2,1H3,(H,21,26)(H2,22,24,25).
What are the key properties of [2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate?
[2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate has a molecular weight of 449.49 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 23799275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).