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

C14H14N4O3 — CID 71026918

IUPACN-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide
SMILESCC(=O)NC1=CC(=O)C(C)=CC1=NN=c1ccccn1O
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)
InChIKeyLZYJJINJQLYAFF-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.53
Rot. Bonds2

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

N-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide (PubChem CID 71026918) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide
PubChem CID71026918
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC NameN-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide
SMILESCC(=O)NC1=CC(=O)C(C)=CC1=NN=c1ccccn1O
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)
InChIKeyLZYJJINJQLYAFF-UHFFFAOYSA-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-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide?
The IUPAC name of N-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide (CID 71026918) is N-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide.
What is the SMILES notation for N-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide?
The canonical SMILES for N-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide is CC(=O)NC1=CC(=O)C(C)=CC1=NN=c1ccccn1O.
What is the InChIKey of N-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide?
The InChIKey is LZYJJINJQLYAFF-UHFFFAOYSA-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).
What are the key properties of N-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide?
N-[6-[(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-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide is sourced from PubChem (CID 71026918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).