2-amino-5-oxo-8-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid

C16H14N2O4 — CID 130275116

IUPAC2-amino-5-oxo-8-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid
SMILESCC(C)c1ccc2c(=O)c3cc(C(=O)O)c(N)nc3oc2c1
InChIInChI=1S/C16H14N2O4/c1-7(2)8-3-4-9-12(5-8)22-15-10(13(9)19)6-11(16(20)21)14(17)18-15/h3-7H,1-2H3,(H2,17,18)(H,20,21)
InChIKeyILCMMGSPXXYUSR-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.74
Rot. Bonds2

About 2-amino-5-oxo-8-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid

2-amino-5-oxo-8-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid (PubChem CID 130275116) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-amino-5-oxo-8-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-oxo-8-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid
PubChem CID130275116
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name2-amino-5-oxo-8-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid
SMILESCC(C)c1ccc2c(=O)c3cc(C(=O)O)c(N)nc3oc2c1
InChIInChI=1S/C16H14N2O4/c1-7(2)8-3-4-9-12(5-8)22-15-10(13(9)19)6-11(16(20)21)14(17)18-15/h3-7H,1-2H3,(H2,17,18)(H,20,21)
InChIKeyILCMMGSPXXYUSR-UHFFFAOYSA-N
XLogP2.74
TPSA106.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-amino-5-oxo-8-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-oxo-8-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-5-oxo-8-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid (CID 130275116) is 2-amino-5-oxo-8-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-5-oxo-8-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-5-oxo-8-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid is CC(C)c1ccc2c(=O)c3cc(C(=O)O)c(N)nc3oc2c1.
What is the InChIKey of 2-amino-5-oxo-8-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is ILCMMGSPXXYUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-7(2)8-3-4-9-12(5-8)22-15-10(13(9)19)6-11(16(20)21)14(17)18-15/h3-7H,1-2H3,(H2,17,18)(H,20,21).
What are the key properties of 2-amino-5-oxo-8-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid?
2-amino-5-oxo-8-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-oxo-8-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 130275116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).