diethyl-[2-[(2R)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-2-yl-2H-pyrrol-1-yl]ethyl]azanium

C20H24N3O4+ — CID 6988293

About diethyl-[2-[(2R)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-2-yl-2H-pyrrol-1-yl]ethyl]azanium

diethyl-[2-[(2R)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-2-yl-2H-pyrrol-1-yl]ethyl]azanium (PubChem CID 6988293) has the molecular formula C20H24N3O4+ and a molecular weight of 370.43 g/mol. Its IUPAC name is diethyl-[2-[(2R)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-2-yl-2H-pyrrol-1-yl]ethyl]azanium.

Molecular Properties

• Compound Name: diethyl-[2-[(2R)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-2-yl-2H-pyrrol-1-yl]ethyl]azanium
• PubChem CID: 6988293
• Molecular Formula: C20H24N3O4+
• Molecular Weight: 370.43 g/mol
• Exact Mass: 370.18
• IUPAC Name: diethyl-[2-[(2R)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-2-yl-2H-pyrrol-1-yl]ethyl]azanium
• SMILES: CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccccn1
• InChI: InChI=1S/C20H23N3O4/c1-3-22(4-2)11-12-23-17(14-8-5-6-10-21-14)16(19(25)20(23)26)18(24)15-9-7-13-27-15/h5-10,13,17,25H,3-4,11-12H2,1-2H3/p+1/t17-/m0/s1
• InChIKey: IJXNAKPSZKRICO-KRWDZBQOSA-O
• XLogP: 1.18
• TPSA: 88.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.43
LogP ≤ 5	1.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[(2R)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-2-yl-2H-pyrrol-1-yl]ethyl]azanium?

The IUPAC name of diethyl-[2-[(2R)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-2-yl-2H-pyrrol-1-yl]ethyl]azanium (CID 6988293) is diethyl-[2-[(2R)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-2-yl-2H-pyrrol-1-yl]ethyl]azanium.

What is the SMILES notation for diethyl-[2-[(2R)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-2-yl-2H-pyrrol-1-yl]ethyl]azanium?

The canonical SMILES for diethyl-[2-[(2R)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-2-yl-2H-pyrrol-1-yl]ethyl]azanium is CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccccn1.

What is the InChIKey of diethyl-[2-[(2R)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-2-yl-2H-pyrrol-1-yl]ethyl]azanium?

The InChIKey is IJXNAKPSZKRICO-KRWDZBQOSA-O. The full InChI is InChI=1S/C20H23N3O4/c1-3-22(4-2)11-12-23-17(14-8-5-6-10-21-14)16(19(25)20(23)26)18(24)15-9-7-13-27-15/h5-10,13,17,25H,3-4,11-12H2,1-2H3/p+1/t17-/m0/s1.

What are the key properties of diethyl-[2-[(2R)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-2-yl-2H-pyrrol-1-yl]ethyl]azanium?

diethyl-[2-[(2R)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-2-yl-2H-pyrrol-1-yl]ethyl]azanium has a molecular weight of 370.43 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for diethyl-[2-[(2R)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-2-yl-2H-pyrrol-1-yl]ethyl]azanium is sourced from PubChem (CID 6988293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).