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

C16H17NO5 — CID 10638143

IUPACmethyl 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(Cc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C16H17NO5/c1-20-13-6-4-11(8-14(13)21-2)9-17-10-12(16(19)22-3)5-7-15(17)18/h4-8,10H,9H2,1-3H3
InChIKeyVZJQEJCEBDPOFA-UHFFFAOYSA-N
MW303.31 g/mol
LogP1.70
Rot. Bonds5

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

methyl 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate (PubChem CID 10638143) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is methyl 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate
PubChem CID10638143
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Namemethyl 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(Cc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C16H17NO5/c1-20-13-6-4-11(8-14(13)21-2)9-17-10-12(16(19)22-3)5-7-15(17)18/h4-8,10H,9H2,1-3H3
InChIKeyVZJQEJCEBDPOFA-UHFFFAOYSA-N
XLogP1.70
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 28516966
methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 17452795
methyl 1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxylate
CID 30093772
N-(3,4-dimethoxyphenyl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110382704
1-[(4-cyano-3-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 106792177
1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 73253839
1-[(2-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 16573885
methyl 3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]benzoate
CID 8721345
N-(2-methoxy-5-methylphenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697109
methyl 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoate
CID 1486027
5-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyridin-2-one
CID 79355225
N-(2-methoxy-5-methylphenyl)-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110382687

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate (CID 10638143) is methyl 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate is COC(=O)c1ccc(=O)n(Cc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of methyl 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate?
The InChIKey is VZJQEJCEBDPOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-20-13-6-4-11(8-14(13)21-2)9-17-10-12(16(19)22-3)5-7-15(17)18/h4-8,10H,9H2,1-3H3.
What are the key properties of methyl 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate?
methyl 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate has a molecular weight of 303.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 10638143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).