4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one

C18H18N2O4 — CID 108660074

IUPAC4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccc(C)o1
InChIInChI=1S/C18H18N2O4/c1-3-13(21)15-16(14-7-6-11(2)24-14)20(18(23)17(15)22)10-12-5-4-8-19-9-12/h4-9,16,22H,3,10H2,1-2H3
InChIKeyRKNJEUCPXROMBR-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.86
Rot. Bonds5

About 4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one

4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (PubChem CID 108660074) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
PubChem CID108660074
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccc(C)o1
InChIInChI=1S/C18H18N2O4/c1-3-13(21)15-16(14-7-6-11(2)24-14)20(18(23)17(15)22)10-12-5-4-8-19-9-12/h4-9,16,22H,3,10H2,1-2H3
InChIKeyRKNJEUCPXROMBR-UHFFFAOYSA-N
XLogP2.86
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-4-hydroxy-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108642910
3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108660093
4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one
CID 108696358
1-(furan-2-ylmethyl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108659912
4-hydroxy-3-(3-methylbutanoyl)-2-(5-methylfuran-2-yl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108660158
4-hydroxy-2-(3-phenoxyphenyl)-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108712344
(2R)-4-hydroxy-2-(4-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 985727
3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 3141387
4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-3-yl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108630940
3-acetyl-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 649635
(2S)-3-acetyl-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 699369
(2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 9498636

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (CID 108660074) is 4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is CCC(=O)C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccc(C)o1.
What is the InChIKey of 4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is RKNJEUCPXROMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-3-13(21)15-16(14-7-6-11(2)24-14)20(18(23)17(15)22)10-12-5-4-8-19-9-12/h4-9,16,22H,3,10H2,1-2H3.
What are the key properties of 4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 326.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108660074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).