methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylate

C18H20N2O6 — CID 17452795

IUPACmethyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(CC(=O)NCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C18H20N2O6/c1-24-14-6-4-12(8-15(14)25-2)9-19-16(21)11-20-10-13(18(23)26-3)5-7-17(20)22/h4-8,10H,9,11H2,1-3H3,(H,19,21)
InChIKeyHSDNQTPBGYQWGK-UHFFFAOYSA-N
MW360.37 g/mol
LogP0.97
Rot. Bonds7

About methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylate

methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylate (PubChem CID 17452795) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylate
PubChem CID17452795
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC Namemethyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(CC(=O)NCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C18H20N2O6/c1-24-14-6-4-12(8-15(14)25-2)9-19-16(21)11-20-10-13(18(23)26-3)5-7-17(20)22/h4-8,10H,9,11H2,1-3H3,(H,19,21)
InChIKeyHSDNQTPBGYQWGK-UHFFFAOYSA-N
XLogP0.97
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 73253839
methyl 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate
CID 10638143
1-[(2-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 16573885
1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 28516966
methyl 1-[2-(tert-butylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609543
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-propylpiperazin-1-yl)acetamide
CID 4788921
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 17407308
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 18083473
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]acetamide
CID 72905576
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 27559456
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51370633
1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 110082547

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylate (CID 17452795) is methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylate is COC(=O)c1ccc(=O)n(CC(=O)NCc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The InChIKey is HSDNQTPBGYQWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-24-14-6-4-12(8-15(14)25-2)9-19-16(21)11-20-10-13(18(23)26-3)5-7-17(20)22/h4-8,10H,9,11H2,1-3H3,(H,19,21).
What are the key properties of methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylate?
methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylate has a molecular weight of 360.37 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 17452795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).