[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate

C20H23N3O6S — CID 3401824

IUPAC[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C20H23N3O6S/c1-14-5-7-16(30(27,28)23-9-3-2-4-10-23)11-17(14)22-19(25)13-29-20(26)15-6-8-18(24)21-12-15/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,21,24)(H,22,25)
InChIKeyMOOAWQMWKINOLO-UHFFFAOYSA-N
MW433.49 g/mol
LogP1.65
Rot. Bonds6

About [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate

[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate (PubChem CID 3401824) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate
PubChem CID3401824
Molecular FormulaC20H23N3O6S
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC Name[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C20H23N3O6S/c1-14-5-7-16(30(27,28)23-9-3-2-4-10-23)11-17(14)22-19(25)13-29-20(26)15-6-8-18(24)21-12-15/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,21,24)(H,22,25)
InChIKeyMOOAWQMWKINOLO-UHFFFAOYSA-N
XLogP1.65
TPSA125.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate (CID 3401824) is [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is MOOAWQMWKINOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S/c1-14-5-7-16(30(27,28)23-9-3-2-4-10-23)11-17(14)22-19(25)13-29-20(26)15-6-8-18(24)21-12-15/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,21,24)(H,22,25).
What are the key properties of [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate?
[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 433.49 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 3401824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).