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

C15H16N4O2 — CID 73456264

IUPACN-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide
SMILESCC(=O)/N=C1\C=C(C)C(C)=CC1=NN=c1ccccn1O
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-YUCVBAMRSA-N
MW284.32 g/mol
LogP1.88
Rot. Bonds1

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

N-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide (PubChem CID 73456264) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide.

Molecular Properties

Compound NameN-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide
PubChem CID73456264
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide
SMILESCC(=O)/N=C1\C=C(C)C(C)=CC1=NN=c1ccccn1O
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-YUCVBAMRSA-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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Related Compounds

N-(1-Hydroxy-5-methylpyridin-2(1H)-ylidene)acetamide
CID 295925
N-[(6Z)-4-fluoro-6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-ylidene]acetamide
CID 177400183
N-[3-(dimethylamino)-6-[(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide
CID 53960211
N-[3-(dimethylamino)-6-[(E)-(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide
CID 58671721
N-[3-(dimethylamino)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide
CID 58671727
2-N-[(E)-(1-hydroxy-4-methyl-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine
CID 58671729
5-Ethyl-2-pivalamidopyridine 1-oxide
CID 59272518
N-[(6E)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide
CID 59872327
N-[(6E)-3-(dimethylamino)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide
CID 59879672
N-[(6Z)-3-(dimethylamino)-6-[(Z)-(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide
CID 59879674
2-N-[(1-hydroxy-4-methyl-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine
CID 59879677
N-[3-(dimethylamino)-6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide
CID 73456265

Frequently Asked Questions

What is the IUPAC name of N-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide?
The IUPAC name of N-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide (CID 73456264) is N-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide.
What is the SMILES notation for N-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide?
The canonical SMILES for N-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide is CC(=O)/N=C1\C=C(C)C(C)=CC1=NN=c1ccccn1O.
What is the InChIKey of N-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide?
The InChIKey is ZOYCEASAWCTWHD-YUCVBAMRSA-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-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide?
N-[6-[(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-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide is sourced from PubChem (CID 73456264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).