ethyl 3-[(1-oxo-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate

C19H16N2O4 — CID 53317522

About ethyl 3-[(1-oxo-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate

ethyl 3-[(1-oxo-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate (PubChem CID 53317522) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is ethyl 3-[(1-oxo-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 3-[(1-oxo-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate
• PubChem CID: 53317522
• Molecular Formula: C19H16N2O4
• Molecular Weight: 336.35 g/mol
• Exact Mass: 336.11
• IUPAC Name: ethyl 3-[(1-oxo-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate
• SMILES: CCOC(=O)c1oc2cnccc2c1Nc1ccc2c(c1)CCC2=O
• InChI: InChI=1S/C19H16N2O4/c1-2-24-19(23)18-17(14-7-8-20-10-16(14)25-18)21-12-4-5-13-11(9-12)3-6-15(13)22/h4-5,7-10,21H,2-3,6H2,1H3
• InChIKey: IZQSPKQTWMIXLH-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 81.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.35
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1-oxo-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate?

The IUPAC name of ethyl 3-[(1-oxo-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate (CID 53317522) is ethyl 3-[(1-oxo-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate.

What is the SMILES notation for ethyl 3-[(1-oxo-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate?

The canonical SMILES for ethyl 3-[(1-oxo-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate is CCOC(=O)c1oc2cnccc2c1Nc1ccc2c(c1)CCC2=O.

What is the InChIKey of ethyl 3-[(1-oxo-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate?

The InChIKey is IZQSPKQTWMIXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-2-24-19(23)18-17(14-7-8-20-10-16(14)25-18)21-12-4-5-13-11(9-12)3-6-15(13)22/h4-5,7-10,21H,2-3,6H2,1H3.

What are the key properties of ethyl 3-[(1-oxo-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate?

ethyl 3-[(1-oxo-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate has a molecular weight of 336.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-[(1-oxo-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 53317522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).