5-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyridine-2-carboxylic acid

C12H13N3O4 — CID 113435928

IUPAC5-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyridine-2-carboxylic acid
SMILESCN1C(=O)CCC(Nc2ccc(C(=O)O)nc2)C1=O
InChIInChI=1S/C12H13N3O4/c1-15-10(16)5-4-8(11(15)17)14-7-2-3-9(12(18)19)13-6-7/h2-3,6,8,14H,4-5H2,1H3,(H,18,19)
InChIKeyHJOGOQRKAFFDKP-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.34
Rot. Bonds3

About 5-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyridine-2-carboxylic acid

5-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyridine-2-carboxylic acid (PubChem CID 113435928) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 5-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyridine-2-carboxylic acid
PubChem CID113435928
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name5-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyridine-2-carboxylic acid
SMILESCN1C(=O)CCC(Nc2ccc(C(=O)O)nc2)C1=O
InChIInChI=1S/C12H13N3O4/c1-15-10(16)5-4-8(11(15)17)14-7-2-3-9(12(18)19)13-6-7/h2-3,6,8,14H,4-5H2,1H3,(H,18,19)
InChIKeyHJOGOQRKAFFDKP-UHFFFAOYSA-N
XLogP0.34
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyridine-2-carboxylic acid (CID 113435928) is 5-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyridine-2-carboxylic acid is CN1C(=O)CCC(Nc2ccc(C(=O)O)nc2)C1=O.
What is the InChIKey of 5-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyridine-2-carboxylic acid?
The InChIKey is HJOGOQRKAFFDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-15-10(16)5-4-8(11(15)17)14-7-2-3-9(12(18)19)13-6-7/h2-3,6,8,14H,4-5H2,1H3,(H,18,19).
What are the key properties of 5-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyridine-2-carboxylic acid?
5-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyridine-2-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 113435928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).