3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]pyridine-2-carboxylic acid

C12H12N4O5 — CID 104743728

IUPAC3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]pyridine-2-carboxylic acid
SMILESO=C1CCC(NC(=O)Nc2cccnc2C(=O)O)C(=O)N1
InChIInChI=1S/C12H12N4O5/c17-8-4-3-7(10(18)16-8)15-12(21)14-6-2-1-5-13-9(6)11(19)20/h1-2,5,7H,3-4H2,(H,19,20)(H2,14,15,21)(H,16,17,18)
InChIKeyFXTTZFZFKURVMZ-UHFFFAOYSA-N
MW292.25 g/mol
LogP-0.29
Rot. Bonds3

About 3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]pyridine-2-carboxylic acid

3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]pyridine-2-carboxylic acid (PubChem CID 104743728) has the molecular formula C12H12N4O5 and a molecular weight of 292.25 g/mol. Its IUPAC name is 3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]pyridine-2-carboxylic acid
PubChem CID104743728
Molecular FormulaC12H12N4O5
Molecular Weight292.25 g/mol
Exact Mass292.08
IUPAC Name3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]pyridine-2-carboxylic acid
SMILESO=C1CCC(NC(=O)Nc2cccnc2C(=O)O)C(=O)N1
InChIInChI=1S/C12H12N4O5/c17-8-4-3-7(10(18)16-8)15-12(21)14-6-2-1-5-13-9(6)11(19)20/h1-2,5,7H,3-4H2,(H,19,20)(H2,14,15,21)(H,16,17,18)
InChIKeyFXTTZFZFKURVMZ-UHFFFAOYSA-N
XLogP-0.29
TPSA137.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 104743679
N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide
CID 156797860
3-(oxan-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447917
N-[(3R)-2,6-dioxopiperidin-3-yl]pyridine-2-carboxamide
CID 175992021
3-[(2-amino-3-pyridinyl)amino]piperidine-2,6-dione
CID 104540520
2-(3-amino-2-pyridinyl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 155218183
1-(2,6-dioxopiperidin-3-yl)-3-(5-phenylmethoxy-2-pyridinyl)urea
CID 153384906
N-[(3R)-2,6-dioxopiperidin-3-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 154591723
2-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)pyridine-3-carboxamide
CID 110475174
3-(thiolane-2-carbonylamino)pyridine-2-carboxylic acid
CID 104740447
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid
CID 104740375

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]pyridine-2-carboxylic acid (CID 104743728) is 3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]pyridine-2-carboxylic acid is O=C1CCC(NC(=O)Nc2cccnc2C(=O)O)C(=O)N1.
What is the InChIKey of 3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]pyridine-2-carboxylic acid?
The InChIKey is FXTTZFZFKURVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O5/c17-8-4-3-7(10(18)16-8)15-12(21)14-6-2-1-5-13-9(6)11(19)20/h1-2,5,7H,3-4H2,(H,19,20)(H2,14,15,21)(H,16,17,18).
What are the key properties of 3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]pyridine-2-carboxylic acid?
3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]pyridine-2-carboxylic acid has a molecular weight of 292.25 g/mol, XLogP of -0.29, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104743728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).