1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one

C21H16N2O4 — CID 655344

IUPAC1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2ccccc2)C1c1cccnc1)c1ccco1
InChIInChI=1S/C21H16N2O4/c24-19(16-9-5-11-27-16)17-18(15-8-4-10-22-12-15)23(21(26)20(17)25)13-14-6-2-1-3-7-14/h1-12,18,25H,13H2
InChIKeyWHBCRYGEYLKMGQ-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.45
Rot. Bonds5

About 1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one

1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 655344) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is 1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID655344
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2ccccc2)C1c1cccnc1)c1ccco1
InChIInChI=1S/C21H16N2O4/c24-19(16-9-5-11-27-16)17-18(15-8-4-10-22-12-15)23(21(26)20(17)25)13-14-6-2-1-3-7-14/h1-12,18,25H,13H2
InChIKeyWHBCRYGEYLKMGQ-UHFFFAOYSA-N
XLogP3.45
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of 1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one (CID 655344) is 1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(Cc2ccccc2)C1c1cccnc1)c1ccco1.
What is the InChIKey of 1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is WHBCRYGEYLKMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c24-19(16-9-5-11-27-16)17-18(15-8-4-10-22-12-15)23(21(26)20(17)25)13-14-6-2-1-3-7-14/h1-12,18,25H,13H2.
What are the key properties of 1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 360.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 655344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).