1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid

C14H14N2O5 — CID 103173349

IUPAC1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid
SMILESCOc1ccnc(Cn2ccc(C(=O)O)cc2=O)c1OC
InChIInChI=1S/C14H14N2O5/c1-20-11-3-5-15-10(13(11)21-2)8-16-6-4-9(14(18)19)7-12(16)17/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyWCEGHHZOCNOQBT-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.01
Rot. Bonds5

About 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid

1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid (PubChem CID 103173349) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid
PubChem CID103173349
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid
SMILESCOc1ccnc(Cn2ccc(C(=O)O)cc2=O)c1OC
InChIInChI=1S/C14H14N2O5/c1-20-11-3-5-15-10(13(11)21-2)8-16-6-4-9(14(18)19)7-12(16)17/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyWCEGHHZOCNOQBT-UHFFFAOYSA-N
XLogP1.01
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-methylpyridin-2-one
CID 103172820
3-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione
CID 103174083
4-[(3,4-dimethoxy-2-pyridinyl)methyl]thieno[3,2-b]pyridin-7-one
CID 99832866
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-6-oxopyridazine-3-carboxylic acid
CID 103173351
1-[(3-bromo-4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82901962
1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 80502819
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one
CID 103174116
2-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]piperazin-1-yl]acetic acid
CID 103173472
3-[(3,4-dimethoxy-2-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one
CID 119047122
1-[(6-methoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82902409
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 135638839
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione
CID 72930183

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid (CID 103173349) is 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid is COc1ccnc(Cn2ccc(C(=O)O)cc2=O)c1OC.
What is the InChIKey of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid?
The InChIKey is WCEGHHZOCNOQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-20-11-3-5-15-10(13(11)21-2)8-16-6-4-9(14(18)19)7-12(16)17/h3-7H,8H2,1-2H3,(H,18,19).
What are the key properties of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid?
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid has a molecular weight of 290.28 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 103173349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).