1-butyl-6-methoxy-4-methyl-5-[(4-methylphenyl)diazenyl]-2-oxopyridine-3-carbonitrile;copper;hydrate

C19H24CuN4O3 — CID 162491005

IUPAC1-butyl-6-methoxy-4-methyl-5-[(4-methylphenyl)diazenyl]-2-oxopyridine-3-carbonitrile;copper;hydrate
SMILESCCCCn1c(OC)c(/N=N/c2ccc(C)cc2)c(C)c(C#N)c1=O.O.[Cu]
InChIInChI=1S/C19H22N4O2.Cu.H2O/c1-5-6-11-23-18(24)16(12-20)14(3)17(19(23)25-4)22-21-15-9-7-13(2)8-10-15;;/h7-10H,5-6,11H2,1-4H3;;1H2/b22-21+;;
InChIKeyFMUMBJOLTRHZGN-ZPZFBZIMSA-N
MW419.97 g/mol
LogP3.73
Rot. Bonds6

About 1-butyl-6-methoxy-4-methyl-5-[(4-methylphenyl)diazenyl]-2-oxopyridine-3-carbonitrile;copper;hydrate

1-butyl-6-methoxy-4-methyl-5-[(4-methylphenyl)diazenyl]-2-oxopyridine-3-carbonitrile;copper;hydrate (PubChem CID 162491005) has the molecular formula C19H24CuN4O3 and a molecular weight of 419.97 g/mol. Its IUPAC name is 1-butyl-6-methoxy-4-methyl-5-[(4-methylphenyl)diazenyl]-2-oxopyridine-3-carbonitrile;copper;hydrate.

Molecular Properties

Compound Name1-butyl-6-methoxy-4-methyl-5-[(4-methylphenyl)diazenyl]-2-oxopyridine-3-carbonitrile;copper;hydrate
PubChem CID162491005
Molecular FormulaC19H24CuN4O3
Molecular Weight419.97 g/mol
Exact Mass419.11
IUPAC Name1-butyl-6-methoxy-4-methyl-5-[(4-methylphenyl)diazenyl]-2-oxopyridine-3-carbonitrile;copper;hydrate
SMILESCCCCn1c(OC)c(/N=N/c2ccc(C)cc2)c(C)c(C#N)c1=O.O.[Cu]
InChIInChI=1S/C19H22N4O2.Cu.H2O/c1-5-6-11-23-18(24)16(12-20)14(3)17(19(23)25-4)22-21-15-9-7-13(2)8-10-15;;/h7-10H,5-6,11H2,1-4H3;;1H2/b22-21+;;
InChIKeyFMUMBJOLTRHZGN-ZPZFBZIMSA-N
XLogP3.73
TPSA111.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.97
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1-hexyl-2-hydroxy-5-[(4-methoxyphenyl)diazenyl]-4-methyl-6-oxopyridine-3-carbonitrile
CID 135834984
1-butyl-5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835426
5-[(3-chloro-4-methoxyphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pentylpyridine-3-carbonitrile
CID 135835492
5-ethynyl-1-hexyl-6-hydroxy-4-methyl-3-[(4-methylphenyl)diazenyl]pyridin-2-one
CID 170226250
1-butyl-5-[(3-chloro-4-methylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835557
1-butyl-2-hydroxy-5-[(2-methoxyphenyl)diazenyl]-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835797
1-hexyl-2-hydroxy-4-methyl-5-[(3-methylphenyl)diazenyl]-6-oxopyridine-3-carbonitrile
CID 135835581
1-butyl-5-[[4-[(1-butyl-5-cyano-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylideneamino]phenyl]iminomethyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 136740461
2-hydroxy-1-(3-methoxypropyl)-4-methyl-5-[(4-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile
CID 135835093
5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835072
1-hexyl-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 135668232
2-[4-[[5-cyano-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-3-pyridinyl]diazenyl]phenyl]sulfonylethyl hydrogen sulfate
CID 136679307

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-methoxy-4-methyl-5-[(4-methylphenyl)diazenyl]-2-oxopyridine-3-carbonitrile;copper;hydrate?
The IUPAC name of 1-butyl-6-methoxy-4-methyl-5-[(4-methylphenyl)diazenyl]-2-oxopyridine-3-carbonitrile;copper;hydrate (CID 162491005) is 1-butyl-6-methoxy-4-methyl-5-[(4-methylphenyl)diazenyl]-2-oxopyridine-3-carbonitrile;copper;hydrate.
What is the SMILES notation for 1-butyl-6-methoxy-4-methyl-5-[(4-methylphenyl)diazenyl]-2-oxopyridine-3-carbonitrile;copper;hydrate?
The canonical SMILES for 1-butyl-6-methoxy-4-methyl-5-[(4-methylphenyl)diazenyl]-2-oxopyridine-3-carbonitrile;copper;hydrate is CCCCn1c(OC)c(/N=N/c2ccc(C)cc2)c(C)c(C#N)c1=O.O.[Cu].
What is the InChIKey of 1-butyl-6-methoxy-4-methyl-5-[(4-methylphenyl)diazenyl]-2-oxopyridine-3-carbonitrile;copper;hydrate?
The InChIKey is FMUMBJOLTRHZGN-ZPZFBZIMSA-N. The full InChI is InChI=1S/C19H22N4O2.Cu.H2O/c1-5-6-11-23-18(24)16(12-20)14(3)17(19(23)25-4)22-21-15-9-7-13(2)8-10-15;;/h7-10H,5-6,11H2,1-4H3;;1H2/b22-21+;;.
What are the key properties of 1-butyl-6-methoxy-4-methyl-5-[(4-methylphenyl)diazenyl]-2-oxopyridine-3-carbonitrile;copper;hydrate?
1-butyl-6-methoxy-4-methyl-5-[(4-methylphenyl)diazenyl]-2-oxopyridine-3-carbonitrile;copper;hydrate has a molecular weight of 419.97 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-methoxy-4-methyl-5-[(4-methylphenyl)diazenyl]-2-oxopyridine-3-carbonitrile;copper;hydrate is sourced from PubChem (CID 162491005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).