3-[[(2-hydroxynaphthalen-1-yl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one

C19H18N2O2 — CID 135597128

IUPAC3-[[(2-hydroxynaphthalen-1-yl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(C/N=C/c2c(O)ccc3ccccc23)c(=O)[nH]1
InChIInChI=1S/C19H18N2O2/c1-12-9-13(2)21-19(23)16(12)10-20-11-17-15-6-4-3-5-14(15)7-8-18(17)22/h3-9,11,22H,10H2,1-2H3,(H,21,23)/b20-11+
InChIKeyVSNCYLBOLKPTJS-RGVLZGJSSA-N
MW306.37 g/mol
LogP3.47
Rot. Bonds3

About 3-[[(2-hydroxynaphthalen-1-yl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one

3-[[(2-hydroxynaphthalen-1-yl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 135597128) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-[[(2-hydroxynaphthalen-1-yl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[(2-hydroxynaphthalen-1-yl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID135597128
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name3-[[(2-hydroxynaphthalen-1-yl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(C/N=C/c2c(O)ccc3ccccc23)c(=O)[nH]1
InChIInChI=1S/C19H18N2O2/c1-12-9-13(2)21-19(23)16(12)10-20-11-17-15-6-4-3-5-14(15)7-8-18(17)22/h3-9,11,22H,10H2,1-2H3,(H,21,23)/b20-11+
InChIKeyVSNCYLBOLKPTJS-RGVLZGJSSA-N
XLogP3.47
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 135597134
3-(benzyliminomethyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
CID 136711770
1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol
CID 1284713
1-[(2-fluorophenyl)methyliminomethyl]naphthalen-2-ol
CID 135595992
1-[(2-methoxyphenyl)methyliminomethyl]naphthalen-2-ol
CID 135595588
1-(pentyliminomethyl)naphthalen-2-ol
CID 137231972
2-[2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135454039
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol
CID 794532
1-(5-bromothiophen-2-yl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]ethanone
CID 157156169
1-(propan-2-yliminomethyl)naphthalen-2-ol
CID 4779256
1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol
CID 136675821

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-hydroxynaphthalen-1-yl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[[(2-hydroxynaphthalen-1-yl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one (CID 135597128) is 3-[[(2-hydroxynaphthalen-1-yl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[[(2-hydroxynaphthalen-1-yl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[[(2-hydroxynaphthalen-1-yl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)c(C/N=C/c2c(O)ccc3ccccc23)c(=O)[nH]1.
What is the InChIKey of 3-[[(2-hydroxynaphthalen-1-yl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is VSNCYLBOLKPTJS-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12-9-13(2)21-19(23)16(12)10-20-11-17-15-6-4-3-5-14(15)7-8-18(17)22/h3-9,11,22H,10H2,1-2H3,(H,21,23)/b20-11+.
What are the key properties of 3-[[(2-hydroxynaphthalen-1-yl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
3-[[(2-hydroxynaphthalen-1-yl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 306.37 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydroxynaphthalen-1-yl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 135597128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).