2-(2-oxo-1-pyridinyl)-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide

C20H24N4O4S — CID 8883829

IUPAC2-(2-oxo-1-pyridinyl)-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cn1ccccc1=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H24N4O4S/c1-16(21-22-19(25)15-23-12-6-3-7-20(23)26)17-8-10-18(11-9-17)29(27,28)24-13-4-2-5-14-24/h3,6-12H,2,4-5,13-15H2,1H3,(H,22,25)/b21-16-
InChIKeyFIVTYCGQOLGBOV-PGMHBOJBSA-N
MW416.50 g/mol
LogP1.56
Rot. Bonds6

About 2-(2-oxo-1-pyridinyl)-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide

2-(2-oxo-1-pyridinyl)-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide (PubChem CID 8883829) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is 2-(2-oxo-1-pyridinyl)-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1-pyridinyl)-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide
PubChem CID8883829
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Name2-(2-oxo-1-pyridinyl)-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cn1ccccc1=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H24N4O4S/c1-16(21-22-19(25)15-23-12-6-3-7-20(23)26)17-8-10-18(11-9-17)29(27,28)24-13-4-2-5-14-24/h3,6-12H,2,4-5,13-15H2,1H3,(H,22,25)/b21-16-
InChIKeyFIVTYCGQOLGBOV-PGMHBOJBSA-N
XLogP1.56
TPSA100.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8882847
N-[(Z)-1-(4-iodophenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883957
2-cyano-N-[1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide
CID 75601364
N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-4-piperidin-1-ylsulfonylbenzamide
CID 90624928
4-methoxy-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]benzamide
CID 9359416
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CID 4007814
N-[1-(4-fluorophenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3295556
N-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8884138
6-methyl-3-[(2Z)-2-[1-(4-piperidin-1-ylsulfonylphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135785050
N-[1-(3-methoxyphenyl)ethylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 1388948
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(1-naphthalen-1-ylethylideneamino)acetamide
CID 3509582
N-[(Z)-butan-2-ylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9465901

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1-pyridinyl)-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(2-oxo-1-pyridinyl)-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide (CID 8883829) is 2-(2-oxo-1-pyridinyl)-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2-oxo-1-pyridinyl)-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2-oxo-1-pyridinyl)-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)Cn1ccccc1=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(2-oxo-1-pyridinyl)-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide?
The InChIKey is FIVTYCGQOLGBOV-PGMHBOJBSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-16(21-22-19(25)15-23-12-6-3-7-20(23)26)17-8-10-18(11-9-17)29(27,28)24-13-4-2-5-14-24/h3,6-12H,2,4-5,13-15H2,1H3,(H,22,25)/b21-16-.
What are the key properties of 2-(2-oxo-1-pyridinyl)-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide?
2-(2-oxo-1-pyridinyl)-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide has a molecular weight of 416.50 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-pyridinyl)-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 8883829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).