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

C25H27N3O4 — CID 661982

IUPAC3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESCCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1ccccn1
InChIInChI=1S/C25H27N3O4/c1-3-27(4-2)14-9-15-28-22(18-11-7-8-13-26-18)21(24(30)25(28)31)23(29)20-16-17-10-5-6-12-19(17)32-20/h5-8,10-13,16,22,30H,3-4,9,14-15H2,1-2H3
InChIKeyOHTQIHLYONGFJG-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.14
Rot. Bonds9

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

3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one (PubChem CID 661982) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
PubChem CID661982
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESCCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1ccccn1
InChIInChI=1S/C25H27N3O4/c1-3-27(4-2)14-9-15-28-22(18-11-7-8-13-26-18)21(24(30)25(28)31)23(29)20-16-17-10-5-6-12-19(17)32-20/h5-8,10-13,16,22,30H,3-4,9,14-15H2,1-2H3
InChIKeyOHTQIHLYONGFJG-UHFFFAOYSA-N
XLogP4.14
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one (CID 661982) is 3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one is CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1ccccn1.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one?
The InChIKey is OHTQIHLYONGFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-3-27(4-2)14-9-15-28-22(18-11-7-8-13-26-18)21(24(30)25(28)31)23(29)20-16-17-10-5-6-12-19(17)32-20/h5-8,10-13,16,22,30H,3-4,9,14-15H2,1-2H3.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one?
3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one has a molecular weight of 433.51 g/mol, XLogP of 4.14, 9 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-[3-(diethylamino)propyl]-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 661982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).