1,4-diethyl-2-hydroxy-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile

C16H16N4O2 — CID 137199809

IUPAC1,4-diethyl-2-hydroxy-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile
SMILESCCc1c(C#N)c(O)n(CC)c(=O)c1/N=N/c1ccccc1
InChIInChI=1S/C16H16N4O2/c1-3-12-13(10-17)15(21)20(4-2)16(22)14(12)19-18-11-8-6-5-7-9-11/h5-9,21H,3-4H2,1-2H3/b19-18+
InChIKeyBSNAPTCVXHRAHX-VHEBQXMUSA-N
MW296.33 g/mol
LogP3.42
Rot. Bonds4

About 1,4-diethyl-2-hydroxy-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile

1,4-diethyl-2-hydroxy-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile (PubChem CID 137199809) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1,4-diethyl-2-hydroxy-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name1,4-diethyl-2-hydroxy-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile
PubChem CID137199809
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name1,4-diethyl-2-hydroxy-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile
SMILESCCc1c(C#N)c(O)n(CC)c(=O)c1/N=N/c1ccccc1
InChIInChI=1S/C16H16N4O2/c1-3-12-13(10-17)15(21)20(4-2)16(22)14(12)19-18-11-8-6-5-7-9-11/h5-9,21H,3-4H2,1-2H3/b19-18+
InChIKeyBSNAPTCVXHRAHX-VHEBQXMUSA-N
XLogP3.42
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
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

C.I. Disperse Yellow 218
CID 112297
1-(2-Hydroxy-ethyl)-4-methyl-2,6-dioxo-5-(phenyl-hydrazono)-1,2,5,6-tetrahydro-pyridine-3-carbonitrile
CID 946742
1-Ethyl-1,2-dihydro-6-hydroxy-4-methyl-5-((2-nitrophenyl)azo)-2-oxonicotinonitrile
CID 162575
6-Hydroxy-1-(3-isopropoxypropyl)-4-methyl-2-oxo-5-(4-(phenylazo)phenylazo)-1,2-dihydro-3-pyridinecarbonitrile
CID 136057453
5-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)diazenyl]-6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
CID 3710317
1-Butyl-5-[(4-cyanophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 3781147
5-[(2,3-Dimethylphenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
CID 139199771
5-[(2,3-Dimethylphenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 139199772
5-[[(4-Fluorophenyl)diazenyl]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 123349457
2-Hydroxy-1,4-dimethyl-6-oxo-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile
CID 135627049
3-Pyridinecarbonitrile, 1-butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-5-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-
CID 135835382
1-Butyl-1,2,5,6-tetrahydro-2,6-dioxo-4-methyl-5-(anilinomethylene)pyridine-3-carbonitrile
CID 135398875

Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-2-hydroxy-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile?
The IUPAC name of 1,4-diethyl-2-hydroxy-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile (CID 137199809) is 1,4-diethyl-2-hydroxy-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile.
What is the SMILES notation for 1,4-diethyl-2-hydroxy-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile?
The canonical SMILES for 1,4-diethyl-2-hydroxy-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile is CCc1c(C#N)c(O)n(CC)c(=O)c1/N=N/c1ccccc1.
What is the InChIKey of 1,4-diethyl-2-hydroxy-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile?
The InChIKey is BSNAPTCVXHRAHX-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-3-12-13(10-17)15(21)20(4-2)16(22)14(12)19-18-11-8-6-5-7-9-11/h5-9,21H,3-4H2,1-2H3/b19-18+.
What are the key properties of 1,4-diethyl-2-hydroxy-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile?
1,4-diethyl-2-hydroxy-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile has a molecular weight of 296.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-2-hydroxy-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile is sourced from PubChem (CID 137199809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).