N-[(6E)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide

C15H16N4O2 — CID 18683814

IUPACN-[(6E)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide
SMILESCC(=O)/N=C1\C=C(C)C(C)=C\C1=N/N=c1\ccccn1O
InChIInChI=1S/C15H16N4O2/c1-10-8-13(16-12(3)20)14(9-11(10)2)17-18-15-6-4-5-7-19(15)21/h4-9,21H,1-3H3/b16-13+,17-14+,18-15+
InChIKeyZOYCEASAWCTWHD-NLCRRHETSA-N
MW284.32 g/mol
LogP1.88
Rot. Bonds1

About N-[(6E)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide

N-[(6E)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide (PubChem CID 18683814) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[(6E)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide.

Molecular Properties

Compound NameN-[(6E)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide
PubChem CID18683814
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-[(6E)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide
SMILESCC(=O)/N=C1\C=C(C)C(C)=C\C1=N/N=c1\ccccn1O
InChIInChI=1S/C15H16N4O2/c1-10-8-13(16-12(3)20)14(9-11(10)2)17-18-15-6-4-5-7-19(15)21/h4-9,21H,1-3H3/b16-13+,17-14+,18-15+
InChIKeyZOYCEASAWCTWHD-NLCRRHETSA-N
XLogP1.88
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6E)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide?
The IUPAC name of N-[(6E)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide (CID 18683814) is N-[(6E)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide.
What is the SMILES notation for N-[(6E)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide?
The canonical SMILES for N-[(6E)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide is CC(=O)/N=C1\C=C(C)C(C)=C\C1=N/N=c1\ccccn1O.
What is the InChIKey of N-[(6E)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide?
The InChIKey is ZOYCEASAWCTWHD-NLCRRHETSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10-8-13(16-12(3)20)14(9-11(10)2)17-18-15-6-4-5-7-19(15)21/h4-9,21H,1-3H3/b16-13+,17-14+,18-15+.
What are the key properties of N-[(6E)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide?
N-[(6E)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide has a molecular weight of 284.32 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6E)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide is sourced from PubChem (CID 18683814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).