6-amino-1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methylpyridin-2-one

C15H17N3O3 — CID 9024279

IUPAC6-amino-1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methylpyridin-2-one
SMILESCOc1cccc(/C=N\n2c(N)cc(C)cc2=O)c1OC
InChIInChI=1S/C15H17N3O3/c1-10-7-13(16)18(14(19)8-10)17-9-11-5-4-6-12(20-2)15(11)21-3/h4-9H,16H2,1-3H3/b17-9-
InChIKeyFSNQEIGWJUATAF-MFOYZWKCSA-N
MW287.32 g/mol
LogP1.64
Rot. Bonds4

About 6-amino-1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methylpyridin-2-one

6-amino-1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methylpyridin-2-one (PubChem CID 9024279) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 6-amino-1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methylpyridin-2-one.

Molecular Properties

Compound Name6-amino-1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methylpyridin-2-one
PubChem CID9024279
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name6-amino-1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methylpyridin-2-one
SMILESCOc1cccc(/C=N\n2c(N)cc(C)cc2=O)c1OC
InChIInChI=1S/C15H17N3O3/c1-10-7-13(16)18(14(19)8-10)17-9-11-5-4-6-12(20-2)15(11)21-3/h4-9H,16H2,1-3H3/b17-9-
InChIKeyFSNQEIGWJUATAF-MFOYZWKCSA-N
XLogP1.64
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-amino-4-methyl-1-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-one
CID 9024403
6-amino-4-methyl-1-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one
CID 9024377
6-amino-1-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-4-methylpyridin-2-one
CID 9024552
6-amino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 135771017
6-amino-1-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024571
6-amino-1-[(2,6-dichlorophenyl)methylideneamino]-4-methylpyridin-2-one
CID 23376464
6-amino-1-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 135771045
4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-methoxy-6-nitrophenolate
CID 9024841
3-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6867165
6-amino-1-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024562
6-amino-1-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one
CID 23376481
1-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzimidazol-2-amine
CID 6858637

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methylpyridin-2-one?
The IUPAC name of 6-amino-1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methylpyridin-2-one (CID 9024279) is 6-amino-1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methylpyridin-2-one.
What is the SMILES notation for 6-amino-1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methylpyridin-2-one?
The canonical SMILES for 6-amino-1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methylpyridin-2-one is COc1cccc(/C=N\n2c(N)cc(C)cc2=O)c1OC.
What is the InChIKey of 6-amino-1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methylpyridin-2-one?
The InChIKey is FSNQEIGWJUATAF-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-7-13(16)18(14(19)8-10)17-9-11-5-4-6-12(20-2)15(11)21-3/h4-9H,16H2,1-3H3/b17-9-.
What are the key properties of 6-amino-1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methylpyridin-2-one?
6-amino-1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methylpyridin-2-one has a molecular weight of 287.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methylpyridin-2-one is sourced from PubChem (CID 9024279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).