2-amino-5-oxo-7-(4-oxocyclohexyl)chromeno[2,3-b]pyridine-3-carboxylic acid

C19H16N2O5 — CID 130275332

IUPAC2-amino-5-oxo-7-(4-oxocyclohexyl)chromeno[2,3-b]pyridine-3-carboxylic acid
SMILESNc1nc2oc3ccc(C4CCC(=O)CC4)cc3c(=O)c2cc1C(=O)O
InChIInChI=1S/C19H16N2O5/c20-17-14(19(24)25)8-13-16(23)12-7-10(9-1-4-11(22)5-2-9)3-6-15(12)26-18(13)21-17/h3,6-9H,1-2,4-5H2,(H2,20,21)(H,24,25)
InChIKeyHSXPCXUYKCHCJZ-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.85
Rot. Bonds2

About 2-amino-5-oxo-7-(4-oxocyclohexyl)chromeno[2,3-b]pyridine-3-carboxylic acid

2-amino-5-oxo-7-(4-oxocyclohexyl)chromeno[2,3-b]pyridine-3-carboxylic acid (PubChem CID 130275332) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-amino-5-oxo-7-(4-oxocyclohexyl)chromeno[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-oxo-7-(4-oxocyclohexyl)chromeno[2,3-b]pyridine-3-carboxylic acid
PubChem CID130275332
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name2-amino-5-oxo-7-(4-oxocyclohexyl)chromeno[2,3-b]pyridine-3-carboxylic acid
SMILESNc1nc2oc3ccc(C4CCC(=O)CC4)cc3c(=O)c2cc1C(=O)O
InChIInChI=1S/C19H16N2O5/c20-17-14(19(24)25)8-13-16(23)12-7-10(9-1-4-11(22)5-2-9)3-6-15(12)26-18(13)21-17/h3,6-9H,1-2,4-5H2,(H2,20,21)(H,24,25)
InChIKeyHSXPCXUYKCHCJZ-UHFFFAOYSA-N
XLogP2.85
TPSA123.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-oxo-7-(4-oxocyclohexyl)chromeno[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-5-oxo-7-(4-oxocyclohexyl)chromeno[2,3-b]pyridine-3-carboxylic acid (CID 130275332) is 2-amino-5-oxo-7-(4-oxocyclohexyl)chromeno[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-5-oxo-7-(4-oxocyclohexyl)chromeno[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-5-oxo-7-(4-oxocyclohexyl)chromeno[2,3-b]pyridine-3-carboxylic acid is Nc1nc2oc3ccc(C4CCC(=O)CC4)cc3c(=O)c2cc1C(=O)O.
What is the InChIKey of 2-amino-5-oxo-7-(4-oxocyclohexyl)chromeno[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is HSXPCXUYKCHCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c20-17-14(19(24)25)8-13-16(23)12-7-10(9-1-4-11(22)5-2-9)3-6-15(12)26-18(13)21-17/h3,6-9H,1-2,4-5H2,(H2,20,21)(H,24,25).
What are the key properties of 2-amino-5-oxo-7-(4-oxocyclohexyl)chromeno[2,3-b]pyridine-3-carboxylic acid?
2-amino-5-oxo-7-(4-oxocyclohexyl)chromeno[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 352.35 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-oxo-7-(4-oxocyclohexyl)chromeno[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 130275332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).