(Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-N-pyridin-2-ylbut-2-enamide

C16H16N4O2 — CID 137144324

IUPAC(Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-N-pyridin-2-ylbut-2-enamide
SMILESC/C(O)=C(/N=N/c1ccc(C)cc1)C(=O)Nc1ccccn1
InChIInChI=1S/C16H16N4O2/c1-11-6-8-13(9-7-11)19-20-15(12(2)21)16(22)18-14-5-3-4-10-17-14/h3-10,21H,1-2H3,(H,17,18,22)/b15-12-,20-19+
InChIKeyWFYVJPPHWNBNNQ-BVRLAMPCSA-N
MW296.33 g/mol
LogP3.90
Rot. Bonds4

About (Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-N-pyridin-2-ylbut-2-enamide

(Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-N-pyridin-2-ylbut-2-enamide (PubChem CID 137144324) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is (Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-N-pyridin-2-ylbut-2-enamide.

Molecular Properties

Compound Name(Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-N-pyridin-2-ylbut-2-enamide
PubChem CID137144324
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name(Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-N-pyridin-2-ylbut-2-enamide
SMILESC/C(O)=C(/N=N/c1ccc(C)cc1)C(=O)Nc1ccccn1
InChIInChI=1S/C16H16N4O2/c1-11-6-8-13(9-7-11)19-20-15(12(2)21)16(22)18-14-5-3-4-10-17-14/h3-10,21H,1-2H3,(H,17,18,22)/b15-12-,20-19+
InChIKeyWFYVJPPHWNBNNQ-BVRLAMPCSA-N
XLogP3.90
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-2-[(4-hydroxyphenyl)diazenyl]-N-phenylbut-2-enamide
CID 157218994
N'-(2,5-dimethylphenyl)-N-pyridin-2-yloxamide
CID 44999307
dicopper;bis(N-(4-methylphenyl)pyridin-2-amine);tetraacetate
CID 139082295
(E)-3-hydroxy-2-phenyldiazenyl-N-(2-phenylmethoxyphenyl)but-2-enamide
CID 178130112
(E)-3-hydroxy-N-(2-methylphenyl)-2-[(4-nitrophenyl)diazenyl]but-2-enamide
CID 139063434
pyridine;N-pyridin-2-ylacetamide
CID 67298573
N'-(2-methoxy-5-methylphenyl)-N-pyridin-2-yloxamide
CID 44999243
N-(2-amino-4-methylphenyl)-N'-pyridin-2-yloxamide
CID 108525984
ethyl N-[(E)-3-hydroxy-2-phenyldiazenylbut-2-enoyl]carbamate
CID 135777563
4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide
CID 35034572
(Z)-4-hydroxy-N,4-bis(4-methylphenyl)-2-oxo-3-phenyldiazenylbut-3-enamide
CID 135429771
5-methyl-N-pyridin-2-ylpyrimidine-2-carboxamide
CID 134531316

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-N-pyridin-2-ylbut-2-enamide?
The IUPAC name of (Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-N-pyridin-2-ylbut-2-enamide (CID 137144324) is (Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-N-pyridin-2-ylbut-2-enamide.
What is the SMILES notation for (Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-N-pyridin-2-ylbut-2-enamide?
The canonical SMILES for (Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-N-pyridin-2-ylbut-2-enamide is C/C(O)=C(/N=N/c1ccc(C)cc1)C(=O)Nc1ccccn1.
What is the InChIKey of (Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-N-pyridin-2-ylbut-2-enamide?
The InChIKey is WFYVJPPHWNBNNQ-BVRLAMPCSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-11-6-8-13(9-7-11)19-20-15(12(2)21)16(22)18-14-5-3-4-10-17-14/h3-10,21H,1-2H3,(H,17,18,22)/b15-12-,20-19+.
What are the key properties of (Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-N-pyridin-2-ylbut-2-enamide?
(Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-N-pyridin-2-ylbut-2-enamide has a molecular weight of 296.33 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-N-pyridin-2-ylbut-2-enamide is sourced from PubChem (CID 137144324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).