1-methyl-5-(methylcarbamoyl)-6-oxopyridine-3-carboxylic acid

C9H10N2O4 — CID 175137728

IUPAC1-methyl-5-(methylcarbamoyl)-6-oxopyridine-3-carboxylic acid
SMILESCNC(=O)c1cc(C(=O)O)cn(C)c1=O
InChIInChI=1S/C9H10N2O4/c1-10-7(12)6-3-5(9(14)15)4-11(2)8(6)13/h3-4H,1-2H3,(H,10,12)(H,14,15)
InChIKeyWENUBTOMDPBQCC-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.56
Rot. Bonds2

About 1-methyl-5-(methylcarbamoyl)-6-oxopyridine-3-carboxylic acid

1-methyl-5-(methylcarbamoyl)-6-oxopyridine-3-carboxylic acid (PubChem CID 175137728) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-methyl-5-(methylcarbamoyl)-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-(methylcarbamoyl)-6-oxopyridine-3-carboxylic acid
PubChem CID175137728
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name1-methyl-5-(methylcarbamoyl)-6-oxopyridine-3-carboxylic acid
SMILESCNC(=O)c1cc(C(=O)O)cn(C)c1=O
InChIInChI=1S/C9H10N2O4/c1-10-7(12)6-3-5(9(14)15)4-11(2)8(6)13/h3-4H,1-2H3,(H,10,12)(H,14,15)
InChIKeyWENUBTOMDPBQCC-UHFFFAOYSA-N
XLogP-0.56
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(methylcarbamoyl)-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-methyl-5-(methylcarbamoyl)-6-oxopyridine-3-carboxylic acid (CID 175137728) is 1-methyl-5-(methylcarbamoyl)-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-5-(methylcarbamoyl)-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-methyl-5-(methylcarbamoyl)-6-oxopyridine-3-carboxylic acid is CNC(=O)c1cc(C(=O)O)cn(C)c1=O.
What is the InChIKey of 1-methyl-5-(methylcarbamoyl)-6-oxopyridine-3-carboxylic acid?
The InChIKey is WENUBTOMDPBQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-10-7(12)6-3-5(9(14)15)4-11(2)8(6)13/h3-4H,1-2H3,(H,10,12)(H,14,15).
What are the key properties of 1-methyl-5-(methylcarbamoyl)-6-oxopyridine-3-carboxylic acid?
1-methyl-5-(methylcarbamoyl)-6-oxopyridine-3-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(methylcarbamoyl)-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 175137728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).