2-[(2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-diethylazanium

C24H26N3O4+ — CID 7447973

IUPAC2-[(2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-diethylazanium
SMILESCC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccncc1
InChIInChI=1S/C24H25N3O4/c1-3-26(4-2)13-14-27-21(16-9-11-25-12-10-16)20(23(29)24(27)30)22(28)19-15-17-7-5-6-8-18(17)31-19/h5-12,15,21,29H,3-4,13-14H2,1-2H3/p+1/t21-/m0/s1
InChIKeyJRSIDAZEBIBBIG-NRFANRHFSA-O
MW420.49 g/mol
LogP2.33
Rot. Bonds8

About 2-[(2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-diethylazanium

2-[(2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-diethylazanium (PubChem CID 7447973) has the molecular formula C24H26N3O4+ and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[(2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-diethylazanium.

Molecular Properties

Compound Name2-[(2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-diethylazanium
PubChem CID7447973
Molecular FormulaC24H26N3O4+
Molecular Weight420.49 g/mol
Exact Mass420.19
IUPAC Name2-[(2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-diethylazanium
SMILESCC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccncc1
InChIInChI=1S/C24H25N3O4/c1-3-26(4-2)13-14-27-21(16-9-11-25-12-10-16)20(23(29)24(27)30)22(28)19-15-17-7-5-6-8-18(17)31-19/h5-12,15,21,29H,3-4,13-14H2,1-2H3/p+1/t21-/m0/s1
InChIKeyJRSIDAZEBIBBIG-NRFANRHFSA-O
XLogP2.33
TPSA88.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-diethylazanium with MolForge

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Related Compounds

3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-pentyl-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108635019
3-(1-benzofuran-2-carbonyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108594310
3-(1-benzofuran-2-carbonyl)-1-[2-(diethylazaniumyl)ethyl]-2-(4-fluorophenyl)-5-oxo-2H-pyrrol-4-olate
CID 4683889
2-[(2R)-3-(1-benzofuran-2-carbonyl)-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium
CID 7008919
diethyl-[2-[(2R)-4-hydroxy-5-oxo-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl]azanium
CID 7381807
3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-1-pentyl-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108635063
3-[(2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]propyl-dimethylazanium
CID 6996507
3-(1-benzofuran-2-carbonyl)-2-(4-ethylphenyl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 5156084
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 5156087
3-(1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-4-hydroxy-1-propyl-2H-pyrrol-5-one
CID 108620847
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 3270102
3-(1-benzofuran-2-carbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 3493234

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-diethylazanium?
The IUPAC name of 2-[(2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-diethylazanium (CID 7447973) is 2-[(2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-diethylazanium.
What is the SMILES notation for 2-[(2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-diethylazanium?
The canonical SMILES for 2-[(2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-diethylazanium is CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccncc1.
What is the InChIKey of 2-[(2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-diethylazanium?
The InChIKey is JRSIDAZEBIBBIG-NRFANRHFSA-O. The full InChI is InChI=1S/C24H25N3O4/c1-3-26(4-2)13-14-27-21(16-9-11-25-12-10-16)20(23(29)24(27)30)22(28)19-15-17-7-5-6-8-18(17)31-19/h5-12,15,21,29H,3-4,13-14H2,1-2H3/p+1/t21-/m0/s1.
What are the key properties of 2-[(2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-diethylazanium?
2-[(2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-diethylazanium has a molecular weight of 420.49 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-diethylazanium is sourced from PubChem (CID 7447973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).