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

C19H18N2O5 — CID 646794

IUPAC3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CC2CCCO2)C1c1cccnc1)c1ccco1
InChIInChI=1S/C19H18N2O5/c22-17(14-6-3-9-26-14)15-16(12-4-1-7-20-10-12)21(19(24)18(15)23)11-13-5-2-8-25-13/h1,3-4,6-7,9-10,13,16,23H,2,5,8,11H2
InChIKeyBAFMZRSIUKAOJC-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.43
Rot. Bonds5

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

3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 646794) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID646794
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CC2CCCO2)C1c1cccnc1)c1ccco1
InChIInChI=1S/C19H18N2O5/c22-17(14-6-3-9-26-14)15-16(12-4-1-7-20-10-12)21(19(24)18(15)23)11-13-5-2-8-25-13/h1,3-4,6-7,9-10,13,16,23H,2,5,8,11H2
InChIKeyBAFMZRSIUKAOJC-UHFFFAOYSA-N
XLogP2.43
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-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-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one (CID 646794) is 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CC2CCCO2)C1c1cccnc1)c1ccco1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is BAFMZRSIUKAOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c22-17(14-6-3-9-26-14)15-16(12-4-1-7-20-10-12)21(19(24)18(15)23)11-13-5-2-8-25-13/h1,3-4,6-7,9-10,13,16,23H,2,5,8,11H2.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 354.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 646794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).