6-amino-1-[(2,6-dichlorophenyl)methylideneamino]-4-methylpyridin-2-one

C13H11Cl2N3O — CID 23376464

IUPAC6-amino-1-[(2,6-dichlorophenyl)methylideneamino]-4-methylpyridin-2-one
SMILESCc1cc(N)n(N=Cc2c(Cl)cccc2Cl)c(=O)c1
InChIInChI=1S/C13H11Cl2N3O/c1-8-5-12(16)18(13(19)6-8)17-7-9-10(14)3-2-4-11(9)15/h2-7H,16H2,1H3
InChIKeyFYUPAHJSNMAJNW-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.93
Rot. Bonds2

About 6-amino-1-[(2,6-dichlorophenyl)methylideneamino]-4-methylpyridin-2-one

6-amino-1-[(2,6-dichlorophenyl)methylideneamino]-4-methylpyridin-2-one (PubChem CID 23376464) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 6-amino-1-[(2,6-dichlorophenyl)methylideneamino]-4-methylpyridin-2-one.

Molecular Properties

Compound Name6-amino-1-[(2,6-dichlorophenyl)methylideneamino]-4-methylpyridin-2-one
PubChem CID23376464
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name6-amino-1-[(2,6-dichlorophenyl)methylideneamino]-4-methylpyridin-2-one
SMILESCc1cc(N)n(N=Cc2c(Cl)cccc2Cl)c(=O)c1
InChIInChI=1S/C13H11Cl2N3O/c1-8-5-12(16)18(13(19)6-8)17-7-9-10(14)3-2-4-11(9)15/h2-7H,16H2,1H3
InChIKeyFYUPAHJSNMAJNW-UHFFFAOYSA-N
XLogP2.93
TPSA60.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-4-methylpyridin-2-one
CID 45114468
6-amino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 135771017
6-amino-4-methyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one
CID 9024471
6-amino-1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024279
6-amino-1-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024414
methyl 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]benzoate
CID 9024468
6-amino-4-methyl-1-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one
CID 9024377
4,6-dimethyl-1-[(3-methylphenyl)methylideneamino]pyridin-2-one
CID 909595
6-amino-4-methyl-1-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridin-2-one
CID 9025043
6-amino-4-methyl-1-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-one
CID 9024403
1-(benzylideneamino)-4,6-dimethylpyridin-2-one
CID 909651
6-amino-4-methyl-1-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridin-2-one
CID 9024345

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(2,6-dichlorophenyl)methylideneamino]-4-methylpyridin-2-one?
The IUPAC name of 6-amino-1-[(2,6-dichlorophenyl)methylideneamino]-4-methylpyridin-2-one (CID 23376464) is 6-amino-1-[(2,6-dichlorophenyl)methylideneamino]-4-methylpyridin-2-one.
What is the SMILES notation for 6-amino-1-[(2,6-dichlorophenyl)methylideneamino]-4-methylpyridin-2-one?
The canonical SMILES for 6-amino-1-[(2,6-dichlorophenyl)methylideneamino]-4-methylpyridin-2-one is Cc1cc(N)n(N=Cc2c(Cl)cccc2Cl)c(=O)c1.
What is the InChIKey of 6-amino-1-[(2,6-dichlorophenyl)methylideneamino]-4-methylpyridin-2-one?
The InChIKey is FYUPAHJSNMAJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c1-8-5-12(16)18(13(19)6-8)17-7-9-10(14)3-2-4-11(9)15/h2-7H,16H2,1H3.
What are the key properties of 6-amino-1-[(2,6-dichlorophenyl)methylideneamino]-4-methylpyridin-2-one?
6-amino-1-[(2,6-dichlorophenyl)methylideneamino]-4-methylpyridin-2-one has a molecular weight of 296.16 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[(2,6-dichlorophenyl)methylideneamino]-4-methylpyridin-2-one is sourced from PubChem (CID 23376464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).