6-amino-4-methyl-1-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-one

C16H19N3O4 — CID 9024403

IUPAC6-amino-4-methyl-1-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-one
SMILESCOc1ccc(/C=N\n2c(N)cc(C)cc2=O)c(OC)c1OC
InChIInChI=1S/C16H19N3O4/c1-10-7-13(17)19(14(20)8-10)18-9-11-5-6-12(21-2)16(23-4)15(11)22-3/h5-9H,17H2,1-4H3/b18-9-
InChIKeyYNKGKCPOHFBZKH-NVMNQCDNSA-N
MW317.35 g/mol
LogP1.65
Rot. Bonds5

About 6-amino-4-methyl-1-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-one

6-amino-4-methyl-1-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-one (PubChem CID 9024403) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 6-amino-4-methyl-1-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-one.

Molecular Properties

Compound Name6-amino-4-methyl-1-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-one
PubChem CID9024403
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name6-amino-4-methyl-1-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-one
SMILESCOc1ccc(/C=N\n2c(N)cc(C)cc2=O)c(OC)c1OC
InChIInChI=1S/C16H19N3O4/c1-10-7-13(17)19(14(20)8-10)18-9-11-5-6-12(21-2)16(23-4)15(11)22-3/h5-9H,17H2,1-4H3/b18-9-
InChIKeyYNKGKCPOHFBZKH-NVMNQCDNSA-N
XLogP1.65
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024279
6-amino-4-methyl-1-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one
CID 9024377
6-amino-1-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024571
6-amino-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one
CID 23376478
(Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
CID 5402147
6-amino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 135771017
6-amino-1-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-4-methylpyridin-2-one
CID 9024552
6-amino-1-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 135771045
6-amino-1-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024568
6-amino-1-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024562
6-amino-1-[(Z)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024559
6-amino-1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one
CID 23376474

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-1-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-one?
The IUPAC name of 6-amino-4-methyl-1-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-one (CID 9024403) is 6-amino-4-methyl-1-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-one.
What is the SMILES notation for 6-amino-4-methyl-1-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-one?
The canonical SMILES for 6-amino-4-methyl-1-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-one is COc1ccc(/C=N\n2c(N)cc(C)cc2=O)c(OC)c1OC.
What is the InChIKey of 6-amino-4-methyl-1-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-one?
The InChIKey is YNKGKCPOHFBZKH-NVMNQCDNSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-10-7-13(17)19(14(20)8-10)18-9-11-5-6-12(21-2)16(23-4)15(11)22-3/h5-9H,17H2,1-4H3/b18-9-.
What are the key properties of 6-amino-4-methyl-1-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-one?
6-amino-4-methyl-1-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-one has a molecular weight of 317.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-1-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-one is sourced from PubChem (CID 9024403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).