2-amino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid

C19H16N2O4 — CID 130275498

IUPAC2-amino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
SMILESNc1nc2oc3ccc(C4=CCCCC4)cc3c(=O)c2cc1C(=O)O
InChIInChI=1S/C19H16N2O4/c20-17-14(19(23)24)9-13-16(22)12-8-11(10-4-2-1-3-5-10)6-7-15(12)25-18(13)21-17/h4,6-9H,1-3,5H2,(H2,20,21)(H,23,24)
InChIKeyFPHLYGOPZBJDSY-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.58
Rot. Bonds2

About 2-amino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid

2-amino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid (PubChem CID 130275498) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-amino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
PubChem CID130275498
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name2-amino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
SMILESNc1nc2oc3ccc(C4=CCCCC4)cc3c(=O)c2cc1C(=O)O
InChIInChI=1S/C19H16N2O4/c20-17-14(19(23)24)9-13-16(22)12-8-11(10-4-2-1-3-5-10)6-7-15(12)25-18(13)21-17/h4,6-9H,1-3,5H2,(H2,20,21)(H,23,24)
InChIKeyFPHLYGOPZBJDSY-UHFFFAOYSA-N
XLogP3.58
TPSA106.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.58
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-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid (CID 130275498) is 2-amino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid is Nc1nc2oc3ccc(C4=CCCCC4)cc3c(=O)c2cc1C(=O)O.
What is the InChIKey of 2-amino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is FPHLYGOPZBJDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c20-17-14(19(23)24)9-13-16(22)12-8-11(10-4-2-1-3-5-10)6-7-15(12)25-18(13)21-17/h4,6-9H,1-3,5H2,(H2,20,21)(H,23,24).
What are the key properties of 2-amino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
2-amino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 336.35 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 130275498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).