6-oxo-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxylic acid

C11H10N2O4 — CID 29276110

IUPAC6-oxo-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxylic acid
SMILESC#CCNC(=O)Cn1cc(C(=O)O)ccc1=O
InChIInChI=1S/C11H10N2O4/c1-2-5-12-9(14)7-13-6-8(11(16)17)3-4-10(13)15/h1,3-4,6H,5,7H2,(H,12,14)(H,16,17)
InChIKeyJROMVCXAIZEDJZ-UHFFFAOYSA-N
MW234.21 g/mol
LogP-0.70
Rot. Bonds4

About 6-oxo-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxylic acid

6-oxo-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxylic acid (PubChem CID 29276110) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 6-oxo-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxylic acid
PubChem CID29276110
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name6-oxo-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxylic acid
SMILESC#CCNC(=O)Cn1cc(C(=O)O)ccc1=O
InChIInChI=1S/C11H10N2O4/c1-2-5-12-9(14)7-13-6-8(11(16)17)3-4-10(13)15/h1,3-4,6H,5,7H2,(H,12,14)(H,16,17)
InChIKeyJROMVCXAIZEDJZ-UHFFFAOYSA-N
XLogP-0.70
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxylic acid (CID 29276110) is 6-oxo-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxylic acid is C#CCNC(=O)Cn1cc(C(=O)O)ccc1=O.
What is the InChIKey of 6-oxo-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxylic acid?
The InChIKey is JROMVCXAIZEDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-2-5-12-9(14)7-13-6-8(11(16)17)3-4-10(13)15/h1,3-4,6H,5,7H2,(H,12,14)(H,16,17).
What are the key properties of 6-oxo-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxylic acid?
6-oxo-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 29276110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).