4,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one

C17H20N2O4 — CID 909654

IUPAC4,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one
SMILESCOc1cc(C=Nn2c(C)cc(C)cc2=O)cc(OC)c1OC
InChIInChI=1S/C17H20N2O4/c1-11-6-12(2)19(16(20)7-11)18-10-13-8-14(21-3)17(23-5)15(9-13)22-4/h6-10H,1-5H3
InChIKeyDQLBYCWOLYIGCC-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.37
Rot. Bonds5

About 4,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one

4,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one (PubChem CID 909654) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one
PubChem CID909654
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name4,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one
SMILESCOc1cc(C=Nn2c(C)cc(C)cc2=O)cc(OC)c1OC
InChIInChI=1S/C17H20N2O4/c1-11-6-12(2)19(16(20)7-11)18-10-13-8-14(21-3)17(23-5)15(9-13)22-4/h6-10H,1-5H3
InChIKeyDQLBYCWOLYIGCC-UHFFFAOYSA-N
XLogP2.37
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one
CID 909670
1-(benzylideneamino)-4,6-dimethylpyridin-2-one
CID 909651
6-amino-1-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 135771045
4,6-dimethyl-1-[(3-methylphenyl)methylideneamino]pyridin-2-one
CID 909595
6-amino-1-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024562
6-methyl-3-methylsulfanyl-4-[(3,4,5-trimethoxyphenyl)methylideneamino]-1,2,4-triazin-5-one
CID 23881510
(E)-N-(3,5-diphenyl-1,2,4-triazol-4-yl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 11647302
6-amino-1-[(Z)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024559
6-amino-4-methyl-1-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-one
CID 9024403
6-amino-1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024279
4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-methoxy-6-nitrophenolate
CID 9024841
6-amino-4-methyl-1-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one
CID 9024377

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one?
The IUPAC name of 4,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one (CID 909654) is 4,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one is COc1cc(C=Nn2c(C)cc(C)cc2=O)cc(OC)c1OC.
What is the InChIKey of 4,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one?
The InChIKey is DQLBYCWOLYIGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11-6-12(2)19(16(20)7-11)18-10-13-8-14(21-3)17(23-5)15(9-13)22-4/h6-10H,1-5H3.
What are the key properties of 4,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one?
4,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one has a molecular weight of 316.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one is sourced from PubChem (CID 909654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).