1-(benzylideneamino)-4,6-dimethylpyridin-2-one

C14H14N2O — CID 909651

IUPAC1-(benzylideneamino)-4,6-dimethylpyridin-2-one
SMILESCc1cc(C)n(N=Cc2ccccc2)c(=O)c1
InChIInChI=1S/C14H14N2O/c1-11-8-12(2)16(14(17)9-11)15-10-13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyPAVKQEXCEWRBMO-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.35
Rot. Bonds2

About 1-(benzylideneamino)-4,6-dimethylpyridin-2-one

1-(benzylideneamino)-4,6-dimethylpyridin-2-one (PubChem CID 909651) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(benzylideneamino)-4,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name1-(benzylideneamino)-4,6-dimethylpyridin-2-one
PubChem CID909651
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-(benzylideneamino)-4,6-dimethylpyridin-2-one
SMILESCc1cc(C)n(N=Cc2ccccc2)c(=O)c1
InChIInChI=1S/C14H14N2O/c1-11-8-12(2)16(14(17)9-11)15-10-13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyPAVKQEXCEWRBMO-UHFFFAOYSA-N
XLogP2.35
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethyl-1-[(3-methylphenyl)methylideneamino]pyridin-2-one
CID 909595
1-(benzylideneamino)-6-methylpyrimidine-2,4-dione
CID 131877466
1-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one
CID 909670
2-[(2,4-dimethyl-6-oxo-1-pyridinyl)iminomethyl]-4-nitrophenolate
CID 2217504
(E)-N-[3,5-bis(3-methylphenyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine
CID 15499601
6-amino-4-methyl-1-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridin-2-one
CID 9024345
6-amino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 135771017
6-amino-1-[(2,6-dichlorophenyl)methylideneamino]-4-methylpyridin-2-one
CID 23376464
6-amino-1-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024414
6-amino-1-[(Z)-[4-(benzimidazol-1-yl)phenyl]methylideneamino]-4-methylpyridin-2-one
CID 9025127
1-[(E)-benzylideneamino]-3,5-bis(3,4-dichlorophenyl)-1,3,5-triazinane-2,4,6-trione
CID 10625838
methyl 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]benzoate
CID 9024468

Frequently Asked Questions

What is the IUPAC name of 1-(benzylideneamino)-4,6-dimethylpyridin-2-one?
The IUPAC name of 1-(benzylideneamino)-4,6-dimethylpyridin-2-one (CID 909651) is 1-(benzylideneamino)-4,6-dimethylpyridin-2-one.
What is the SMILES notation for 1-(benzylideneamino)-4,6-dimethylpyridin-2-one?
The canonical SMILES for 1-(benzylideneamino)-4,6-dimethylpyridin-2-one is Cc1cc(C)n(N=Cc2ccccc2)c(=O)c1.
What is the InChIKey of 1-(benzylideneamino)-4,6-dimethylpyridin-2-one?
The InChIKey is PAVKQEXCEWRBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-11-8-12(2)16(14(17)9-11)15-10-13-6-4-3-5-7-13/h3-10H,1-2H3.
What are the key properties of 1-(benzylideneamino)-4,6-dimethylpyridin-2-one?
1-(benzylideneamino)-4,6-dimethylpyridin-2-one has a molecular weight of 226.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylideneamino)-4,6-dimethylpyridin-2-one is sourced from PubChem (CID 909651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).