4-[(5-cyano-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide

C16H16N4O4S — CID 1008543

IUPAC4-[(5-cyano-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide
SMILESCc1c(/C=N/c2ccc(S(=O)(=O)N(C)C)cc2)c(O)[nH]c(=O)c1C#N
InChIInChI=1S/C16H16N4O4S/c1-10-13(8-17)15(21)19-16(22)14(10)9-18-11-4-6-12(7-5-11)25(23,24)20(2)3/h4-7,9H,1-3H3,(H2,19,21,22)/b18-9+
InChIKeyAMOJUJOUNZPWDJ-GIJQJNRQSA-N
MW360.40 g/mol
LogP1.26
Rot. Bonds4

About 4-[(5-cyano-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide

4-[(5-cyano-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 1008543) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is 4-[(5-cyano-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(5-cyano-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide
PubChem CID1008543
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC Name4-[(5-cyano-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide
SMILESCc1c(/C=N/c2ccc(S(=O)(=O)N(C)C)cc2)c(O)[nH]c(=O)c1C#N
InChIInChI=1S/C16H16N4O4S/c1-10-13(8-17)15(21)19-16(22)14(10)9-18-11-4-6-12(7-5-11)25(23,24)20(2)3/h4-7,9H,1-3H3,(H2,19,21,22)/b18-9+
InChIKeyAMOJUJOUNZPWDJ-GIJQJNRQSA-N
XLogP1.26
TPSA126.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyano-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[(5-cyano-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide (CID 1008543) is 4-[(5-cyano-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[(5-cyano-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[(5-cyano-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide is Cc1c(/C=N/c2ccc(S(=O)(=O)N(C)C)cc2)c(O)[nH]c(=O)c1C#N.
What is the InChIKey of 4-[(5-cyano-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is AMOJUJOUNZPWDJ-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-10-13(8-17)15(21)19-16(22)14(10)9-18-11-4-6-12(7-5-11)25(23,24)20(2)3/h4-7,9H,1-3H3,(H2,19,21,22)/b18-9+.
What are the key properties of 4-[(5-cyano-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide?
4-[(5-cyano-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 360.40 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyano-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 1008543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).