2-amino-7-(2-cyclopropylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid

C18H16N2O4 — CID 130275327

IUPAC2-amino-7-(2-cyclopropylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
SMILESNc1nc2oc3ccc(CCC4CC4)cc3c(=O)c2cc1C(=O)O
InChIInChI=1S/C18H16N2O4/c19-16-13(18(22)23)8-12-15(21)11-7-10(4-3-9-1-2-9)5-6-14(11)24-17(12)20-16/h5-9H,1-4H2,(H2,19,20)(H,22,23)
InChIKeyCFFJUSYKIWARJC-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.96
Rot. Bonds4

About 2-amino-7-(2-cyclopropylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid

2-amino-7-(2-cyclopropylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid (PubChem CID 130275327) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-amino-7-(2-cyclopropylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-7-(2-cyclopropylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
PubChem CID130275327
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-amino-7-(2-cyclopropylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
SMILESNc1nc2oc3ccc(CCC4CC4)cc3c(=O)c2cc1C(=O)O
InChIInChI=1S/C18H16N2O4/c19-16-13(18(22)23)8-12-15(21)11-7-10(4-3-9-1-2-9)5-6-14(11)24-17(12)20-16/h5-9H,1-4H2,(H2,19,20)(H,22,23)
InChIKeyCFFJUSYKIWARJC-UHFFFAOYSA-N
XLogP2.96
TPSA106.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-7-(2-cyclopropylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-7-(2-cyclopropylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid (CID 130275327) is 2-amino-7-(2-cyclopropylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-7-(2-cyclopropylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-7-(2-cyclopropylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid is Nc1nc2oc3ccc(CCC4CC4)cc3c(=O)c2cc1C(=O)O.
What is the InChIKey of 2-amino-7-(2-cyclopropylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is CFFJUSYKIWARJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c19-16-13(18(22)23)8-12-15(21)11-7-10(4-3-9-1-2-9)5-6-14(11)24-17(12)20-16/h5-9H,1-4H2,(H2,19,20)(H,22,23).
What are the key properties of 2-amino-7-(2-cyclopropylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
2-amino-7-(2-cyclopropylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 324.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(2-cyclopropylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 130275327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).