2-N-[(E)-(1-hydroxy-4-methyl-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine

C14H16N4O — CID 58671729

IUPAC2-N-[(E)-(1-hydroxy-4-methyl-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine
SMILES[H]/N=C1\C=C(C)C(C)=CC1=N/N=c1\cc(C)ccn1O
InChIInChI=1S/C14H16N4O/c1-9-4-5-18(19)14(6-9)17-16-13-8-11(3)10(2)7-12(13)15/h4-8,15,19H,1-3H3/b15-12+,16-13?,17-14+
InChIKeyABGNQGABRHNKCL-IKTYMELYSA-N
MW256.31 g/mol
LogP2.22
Rot. Bonds1

About 2-N-[(E)-(1-hydroxy-4-methyl-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine

2-N-[(E)-(1-hydroxy-4-methyl-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine (PubChem CID 58671729) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-N-[(E)-(1-hydroxy-4-methyl-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine.

Molecular Properties

Compound Name2-N-[(E)-(1-hydroxy-4-methyl-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine
PubChem CID58671729
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-N-[(E)-(1-hydroxy-4-methyl-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine
SMILES[H]/N=C1\C=C(C)C(C)=CC1=N/N=c1\cc(C)ccn1O
InChIInChI=1S/C14H16N4O/c1-9-4-5-18(19)14(6-9)17-16-13-8-11(3)10(2)7-12(13)15/h4-8,15,19H,1-3H3/b15-12+,16-13?,17-14+
InChIKeyABGNQGABRHNKCL-IKTYMELYSA-N
XLogP2.22
TPSA73.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
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

2-(o-aminophenyl)pyridine N-oxide
CID 87541817
4-Ethyl-1-hydroxypyridin-2-imine
CID 131300890
Benzenamine, N4-oxide
CID 54606662
4-N-[(E)-(1-hydroxy-2-pyridinylidene)amino]cyclohexa-2,5-diene-1,4-diimine
CID 18720657
5-[(1-Hydroxy-2-pyridinylidene)hydrazinylidene]-6-iminopyridin-2-amine
CID 54021237
5-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-6-iminopyridin-2-amine
CID 58671716
6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine
CID 58671717
6-[(E)-(1-hydroxy-4-methyl-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine
CID 58671722
4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine
CID 58671725
4-N-[(E)-(1-hydroxy-2-pyridinylidene)amino]-2,5-dimethylcyclohexa-2,5-diene-1,4-diimine
CID 59123292
N-[(6E)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide
CID 59872327
3-N-[(1-hydroxy-2-pyridinylidene)amino]-6-methylpyridine-2,3-diimine
CID 59872328

Frequently Asked Questions

What is the IUPAC name of 2-N-[(E)-(1-hydroxy-4-methyl-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine?
The IUPAC name of 2-N-[(E)-(1-hydroxy-4-methyl-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine (CID 58671729) is 2-N-[(E)-(1-hydroxy-4-methyl-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine.
What is the SMILES notation for 2-N-[(E)-(1-hydroxy-4-methyl-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine?
The canonical SMILES for 2-N-[(E)-(1-hydroxy-4-methyl-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine is [H]/N=C1\C=C(C)C(C)=CC1=N/N=c1\cc(C)ccn1O.
What is the InChIKey of 2-N-[(E)-(1-hydroxy-4-methyl-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine?
The InChIKey is ABGNQGABRHNKCL-IKTYMELYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-4-5-18(19)14(6-9)17-16-13-8-11(3)10(2)7-12(13)15/h4-8,15,19H,1-3H3/b15-12+,16-13?,17-14+.
What are the key properties of 2-N-[(E)-(1-hydroxy-4-methyl-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine?
2-N-[(E)-(1-hydroxy-4-methyl-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine has a molecular weight of 256.31 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(E)-(1-hydroxy-4-methyl-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine is sourced from PubChem (CID 58671729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).