N-(1-hydroxy-3-methyl-4-pyridinylidene)benzamide

C13H12N2O2 — CID 134113964

IUPACN-(1-hydroxy-3-methyl-4-pyridinylidene)benzamide
SMILESCc1cn(O)cc/c1=N\C(=O)c1ccccc1
InChIInChI=1S/C13H12N2O2/c1-10-9-15(17)8-7-12(10)14-13(16)11-5-3-2-4-6-11/h2-9,17H,1H3/b14-12+
InChIKeyGYKPWPLXIOVBEV-WYMLVPIESA-N
MW228.25 g/mol
LogP1.77
Rot. Bonds1

About N-(1-hydroxy-3-methyl-4-pyridinylidene)benzamide

N-(1-hydroxy-3-methyl-4-pyridinylidene)benzamide (PubChem CID 134113964) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-(1-hydroxy-3-methyl-4-pyridinylidene)benzamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methyl-4-pyridinylidene)benzamide
PubChem CID134113964
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC NameN-(1-hydroxy-3-methyl-4-pyridinylidene)benzamide
SMILESCc1cn(O)cc/c1=N\C(=O)c1ccccc1
InChIInChI=1S/C13H12N2O2/c1-10-9-15(17)8-7-12(10)14-13(16)11-5-3-2-4-6-11/h2-9,17H,1H3/b14-12+
InChIKeyGYKPWPLXIOVBEV-WYMLVPIESA-N
XLogP1.77
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxy-4-pyridinylidene)benzamide
CID 121008000
N-(1-hydroxy-2-pyridinylidene)benzamide
CID 5104413
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5224044
N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)benzamide
CID 5089876
N-(1-methylazepan-2-ylidene)benzamide
CID 2345180
N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]benzamide
CID 60605361
N-[2-(3,4-dimethylphenyl)-3H-isoindol-1-ylidene]benzamide
CID 2322463
CID 131851272
CID 131851272
N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)benzamide
CID 56972553
N-(dimethylaminomethylidene)benzamide;ethane
CID 90754594
benzoyl azide;hydrochloride
CID 174620684
4-benzoyl-N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43980052

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methyl-4-pyridinylidene)benzamide?
The IUPAC name of N-(1-hydroxy-3-methyl-4-pyridinylidene)benzamide (CID 134113964) is N-(1-hydroxy-3-methyl-4-pyridinylidene)benzamide.
What is the SMILES notation for N-(1-hydroxy-3-methyl-4-pyridinylidene)benzamide?
The canonical SMILES for N-(1-hydroxy-3-methyl-4-pyridinylidene)benzamide is Cc1cn(O)cc/c1=N\C(=O)c1ccccc1.
What is the InChIKey of N-(1-hydroxy-3-methyl-4-pyridinylidene)benzamide?
The InChIKey is GYKPWPLXIOVBEV-WYMLVPIESA-N. The full InChI is InChI=1S/C13H12N2O2/c1-10-9-15(17)8-7-12(10)14-13(16)11-5-3-2-4-6-11/h2-9,17H,1H3/b14-12+.
What are the key properties of N-(1-hydroxy-3-methyl-4-pyridinylidene)benzamide?
N-(1-hydroxy-3-methyl-4-pyridinylidene)benzamide has a molecular weight of 228.25 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methyl-4-pyridinylidene)benzamide is sourced from PubChem (CID 134113964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).