3-(furan-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-4-olate

C20H21N3O5 — CID 5167139

About 3-(furan-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-4-olate

3-(furan-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-4-olate (PubChem CID 5167139) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-4-olate.

Molecular Properties

• Compound Name: 3-(furan-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-4-olate
• PubChem CID: 5167139
• Molecular Formula: C20H21N3O5
• Molecular Weight: 383.40 g/mol
• Exact Mass: 383.15
• IUPAC Name: 3-(furan-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-4-olate
• SMILES: O=C(C1=C([O-])C(=O)N(CC[NH+]2CCOCC2)C1c1cccnc1)c1ccco1
• InChI: InChI=1S/C20H21N3O5/c24-18(15-4-2-10-28-15)16-17(14-3-1-5-21-13-14)23(20(26)19(16)25)7-6-22-8-11-27-12-9-22/h1-5,10,13,17,25H,6-9,11-12H2
• InChIKey: KRNVLVTUFJNOMQ-UHFFFAOYSA-N
• XLogP: -1.03
• TPSA: 100.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.40
LogP ≤ 5	-1.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-4-olate?

The IUPAC name of 3-(furan-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-4-olate (CID 5167139) is 3-(furan-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-4-olate.

What is the SMILES notation for 3-(furan-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-4-olate?

The canonical SMILES for 3-(furan-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-4-olate is O=C(C1=C([O-])C(=O)N(CC[NH+]2CCOCC2)C1c1cccnc1)c1ccco1.

What is the InChIKey of 3-(furan-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-4-olate?

The InChIKey is KRNVLVTUFJNOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c24-18(15-4-2-10-28-15)16-17(14-3-1-5-21-13-14)23(20(26)19(16)25)7-6-22-8-11-27-12-9-22/h1-5,10,13,17,25H,6-9,11-12H2.

What are the key properties of 3-(furan-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-4-olate?

3-(furan-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-4-olate has a molecular weight of 383.40 g/mol, XLogP of -1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(furan-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-4-olate is sourced from PubChem (CID 5167139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).