6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carboxylic acid

C13H12N2O4 — CID 64836665

IUPAC6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carboxylic acid
SMILESCC1(C)C2C(=O)N(c3ccc(C(=O)O)cn3)C(=O)C21
InChIInChI=1S/C13H12N2O4/c1-13(2)8-9(13)11(17)15(10(8)16)7-4-3-6(5-14-7)12(18)19/h3-5,8-9H,1-2H3,(H,18,19)
InChIKeyWHOPFCSHJHTKES-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.93
Rot. Bonds2

About 6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carboxylic acid

6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carboxylic acid (PubChem CID 64836665) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carboxylic acid
PubChem CID64836665
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carboxylic acid
SMILESCC1(C)C2C(=O)N(c3ccc(C(=O)O)cn3)C(=O)C21
InChIInChI=1S/C13H12N2O4/c1-13(2)8-9(13)11(17)15(10(8)16)7-4-3-6(5-14-7)12(18)19/h3-5,8-9H,1-2H3,(H,18,19)
InChIKeyWHOPFCSHJHTKES-UHFFFAOYSA-N
XLogP0.93
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carboxylic acid with MolForge

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Related Compounds

4-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)benzoic acid
CID 64837233
6-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carboxylic acid
CID 63606423
6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 103356410
6-(1,3-dioxo-4H-isoquinolin-2-yl)pyridine-3-carboxylic acid
CID 63260234
3-(5-amino-4-methyl-2-pyridinyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64851259
6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 43593037
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43586285
6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid
CID 121201375
6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid
CID 121200824
6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709
6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 23432931

Frequently Asked Questions

What is the IUPAC name of 6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carboxylic acid (CID 64836665) is 6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carboxylic acid is CC1(C)C2C(=O)N(c3ccc(C(=O)O)cn3)C(=O)C21.
What is the InChIKey of 6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carboxylic acid?
The InChIKey is WHOPFCSHJHTKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-13(2)8-9(13)11(17)15(10(8)16)7-4-3-6(5-14-7)12(18)19/h3-5,8-9H,1-2H3,(H,18,19).
What are the key properties of 6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carboxylic acid?
6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 64836665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).