3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one

C24H25N3O4 — CID 661079

IUPAC3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1cccnc1
InChIInChI=1S/C24H25N3O4/c1-3-26(4-2)12-13-27-21(17-9-7-11-25-15-17)20(23(29)24(27)30)22(28)19-14-16-8-5-6-10-18(16)31-19/h5-11,14-15,21,29H,3-4,12-13H2,1-2H3
InChIKeyHRPCARBJXGVSEC-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.75
Rot. Bonds8

About 3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 661079) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID661079
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1cccnc1
InChIInChI=1S/C24H25N3O4/c1-3-26(4-2)12-13-27-21(17-9-7-11-25-15-17)20(23(29)24(27)30)22(28)19-14-16-8-5-6-10-18(16)31-19/h5-11,14-15,21,29H,3-4,12-13H2,1-2H3
InChIKeyHRPCARBJXGVSEC-UHFFFAOYSA-N
XLogP3.75
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one (CID 661079) is 3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one is CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1cccnc1.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is HRPCARBJXGVSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-3-26(4-2)12-13-27-21(17-9-7-11-25-15-17)20(23(29)24(27)30)22(28)19-14-16-8-5-6-10-18(16)31-19/h5-11,14-15,21,29H,3-4,12-13H2,1-2H3.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 419.48 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 661079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).