7-cyclopentyl-2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid

C20H19NO4 — CID 157459588

IUPAC7-cyclopentyl-2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
SMILESCCc1nc2oc3ccc(C4CCCC4)cc3c(=O)c2cc1C(=O)O
InChIInChI=1S/C20H19NO4/c1-2-16-13(20(23)24)10-15-18(22)14-9-12(11-5-3-4-6-11)7-8-17(14)25-19(15)21-16/h7-11H,2-6H2,1H3,(H,23,24)
InChIKeyBTTNCLOFINKBMT-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.26
Rot. Bonds3

About 7-cyclopentyl-2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid

7-cyclopentyl-2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid (PubChem CID 157459588) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 7-cyclopentyl-2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-cyclopentyl-2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
PubChem CID157459588
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name7-cyclopentyl-2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
SMILESCCc1nc2oc3ccc(C4CCCC4)cc3c(=O)c2cc1C(=O)O
InChIInChI=1S/C20H19NO4/c1-2-16-13(20(23)24)10-15-18(22)14-9-12(11-5-3-4-6-11)7-8-17(14)25-19(15)21-16/h7-11H,2-6H2,1H3,(H,23,24)
InChIKeyBTTNCLOFINKBMT-UHFFFAOYSA-N
XLogP4.26
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 7-cyclopentyl-2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 7-cyclopentyl-2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid (CID 157459588) is 7-cyclopentyl-2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 7-cyclopentyl-2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 7-cyclopentyl-2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid is CCc1nc2oc3ccc(C4CCCC4)cc3c(=O)c2cc1C(=O)O.
What is the InChIKey of 7-cyclopentyl-2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is BTTNCLOFINKBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-2-16-13(20(23)24)10-15-18(22)14-9-12(11-5-3-4-6-11)7-8-17(14)25-19(15)21-16/h7-11H,2-6H2,1H3,(H,23,24).
What are the key properties of 7-cyclopentyl-2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
7-cyclopentyl-2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 157459588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).