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

C15H15NO5 — CID 28516966

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid
SMILESCOc1ccc(Cn2cc(C(=O)O)ccc2=O)cc1OC
InChIInChI=1S/C15H15NO5/c1-20-12-5-3-10(7-13(12)21-2)8-16-9-11(15(18)19)4-6-14(16)17/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyMAWZLUUTBKERJQ-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.61
Rot. Bonds5

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

1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 28516966) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid
PubChem CID28516966
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid
SMILESCOc1ccc(Cn2cc(C(=O)O)ccc2=O)cc1OC
InChIInChI=1S/C15H15NO5/c1-20-12-5-3-10(7-13(12)21-2)8-16-9-11(15(18)19)4-6-14(16)17/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyMAWZLUUTBKERJQ-UHFFFAOYSA-N
XLogP1.61
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate
CID 10638143
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-methoxy-4-pyridinyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 62993708
1-[(3,4-dimethoxyphenyl)methyl]pyrrole-3-carboxylic acid
CID 79103442
N-(3,4-dimethoxyphenyl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110382704
6-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-3-carboxylic acid
CID 110128894
1-[(2-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 16573885
methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 17452795
5-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyridin-2-one
CID 79355225
1-[(3-bromo-4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82901962
N-(2-methoxy-5-methylphenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697109

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid (CID 28516966) is 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid is COc1ccc(Cn2cc(C(=O)O)ccc2=O)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is MAWZLUUTBKERJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-20-12-5-3-10(7-13(12)21-2)8-16-9-11(15(18)19)4-6-14(16)17/h3-7,9H,8H2,1-2H3,(H,18,19).
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid?
1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 28516966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).