3-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one

C16H18N2O3 — CID 135597134

IUPAC3-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCOc1ccc(O)c(/C=N/Cc2c(C)cc(C)[nH]c2=O)c1
InChIInChI=1S/C16H18N2O3/c1-10-6-11(2)18-16(20)14(10)9-17-8-12-7-13(21-3)4-5-15(12)19/h4-8,19H,9H2,1-3H3,(H,18,20)/b17-8+
InChIKeyFOFCRGDVNDXXBM-CAOOACKPSA-N
MW286.33 g/mol
LogP2.33
Rot. Bonds4

About 3-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one

3-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 135597134) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID135597134
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCOc1ccc(O)c(/C=N/Cc2c(C)cc(C)[nH]c2=O)c1
InChIInChI=1S/C16H18N2O3/c1-10-6-11(2)18-16(20)14(10)9-17-8-12-7-13(21-3)4-5-15(12)19/h4-8,19H,9H2,1-3H3,(H,18,20)/b17-8+
InChIKeyFOFCRGDVNDXXBM-CAOOACKPSA-N
XLogP2.33
TPSA74.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol
CID 135757890
2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135817975
2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol
CID 137231962
4-methoxy-2-(2-sulfanylethyliminomethyl)phenol
CID 137210775
2-[(3-chlorophenyl)methyliminomethyl]-4-methoxyphenol
CID 135595429
2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol
CID 136914415
N,N-diethyl-4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide
CID 135818045
2-[2-[4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethylsulfanyl]butylsulfanyl]ethyliminomethyl]-4-methoxyphenol
CID 137082870
4-methoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol
CID 135818085
2-[2-[[2-hydroxy-5-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]ethyliminomethyl]-4-[(2-methylpropan-2-yl)oxy]phenol
CID 142265879
2-[2-(4-bromophenyl)sulfanylethyliminomethyl]-4-methoxyphenol
CID 135596106
2-(ethyliminomethyl)-5-methoxyphenol
CID 144549332

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one (CID 135597134) is 3-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one is COc1ccc(O)c(/C=N/Cc2c(C)cc(C)[nH]c2=O)c1.
What is the InChIKey of 3-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is FOFCRGDVNDXXBM-CAOOACKPSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-6-11(2)18-16(20)14(10)9-17-8-12-7-13(21-3)4-5-15(12)19/h4-8,19H,9H2,1-3H3,(H,18,20)/b17-8+.
What are the key properties of 3-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
3-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 286.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 135597134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).