N-[(6E)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide

C14H14N4O3 — CID 59884279

IUPACN-[(6E)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide
SMILESCC(=O)NC1=CC(=O)C(C)=C/C1=N\N=c1\ccccn1O
InChIInChI=1S/C14H14N4O3/c1-9-7-12(11(8-13(9)20)15-10(2)19)16-17-14-5-3-4-6-18(14)21/h3-8,21H,1-2H3,(H,15,19)/b16-12+,17-14-
InChIKeyLZYJJINJQLYAFF-KWOQVVRBSA-N
MW286.29 g/mol
LogP0.53
Rot. Bonds2

About N-[(6E)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide

N-[(6E)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide (PubChem CID 59884279) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[(6E)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide.

Molecular Properties

Compound NameN-[(6E)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide
PubChem CID59884279
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC NameN-[(6E)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide
SMILESCC(=O)NC1=CC(=O)C(C)=C/C1=N\N=c1\ccccn1O
InChIInChI=1S/C14H14N4O3/c1-9-7-12(11(8-13(9)20)15-10(2)19)16-17-14-5-3-4-6-18(14)21/h3-8,21H,1-2H3,(H,15,19)/b16-12+,17-14-
InChIKeyLZYJJINJQLYAFF-KWOQVVRBSA-N
XLogP0.53
TPSA96.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6E)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide?
The IUPAC name of N-[(6E)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide (CID 59884279) is N-[(6E)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide.
What is the SMILES notation for N-[(6E)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide?
The canonical SMILES for N-[(6E)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide is CC(=O)NC1=CC(=O)C(C)=C/C1=N\N=c1\ccccn1O.
What is the InChIKey of N-[(6E)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide?
The InChIKey is LZYJJINJQLYAFF-KWOQVVRBSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-9-7-12(11(8-13(9)20)15-10(2)19)16-17-14-5-3-4-6-18(14)21/h3-8,21H,1-2H3,(H,15,19)/b16-12+,17-14-.
What are the key properties of N-[(6E)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide?
N-[(6E)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide has a molecular weight of 286.29 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6E)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide is sourced from PubChem (CID 59884279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).