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

C20H22N2O4 — CID 108660158

IUPAC4-hydroxy-3-(3-methylbutanoyl)-2-(5-methylfuran-2-yl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2ccncc2)o1
InChIInChI=1S/C20H22N2O4/c1-12(2)10-15(23)17-18(16-5-4-13(3)26-16)22(20(25)19(17)24)11-14-6-8-21-9-7-14/h4-9,12,18,24H,10-11H2,1-3H3
InChIKeyZFTCMYUZJCJDPJ-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.49
Rot. Bonds6

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

4-hydroxy-3-(3-methylbutanoyl)-2-(5-methylfuran-2-yl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one (PubChem CID 108660158) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-hydroxy-3-(3-methylbutanoyl)-2-(5-methylfuran-2-yl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-3-(3-methylbutanoyl)-2-(5-methylfuran-2-yl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
PubChem CID108660158
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name4-hydroxy-3-(3-methylbutanoyl)-2-(5-methylfuran-2-yl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2ccncc2)o1
InChIInChI=1S/C20H22N2O4/c1-12(2)10-15(23)17-18(16-5-4-13(3)26-16)22(20(25)19(17)24)11-14-6-8-21-9-7-14/h4-9,12,18,24H,10-11H2,1-3H3
InChIKeyZFTCMYUZJCJDPJ-UHFFFAOYSA-N
XLogP3.49
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-4-hydroxy-3-(3-methylbutanoyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108660547
4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108660074
4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-3-yl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108630940
1-(2,3-dimethylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108658794
(4Z)-4-[hydroxy(phenyl)methylidene]-5-(5-methylfuran-2-yl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
CID 108660110
4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one
CID 108692960
1-(3,4-difluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108658011
1-benzyl-4-hydroxy-2-(4-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 4278622
ethyl 4-[[4-hydroxy-3-(3-methylbutanoyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]methyl]benzoate
CID 108692612
4-hydroxy-2-(4-methoxyphenyl)-3-(3-methylbutanoyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108576626
4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108617309
1-(furan-2-ylmethyl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108659912

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(3-methylbutanoyl)-2-(5-methylfuran-2-yl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-3-(3-methylbutanoyl)-2-(5-methylfuran-2-yl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one (CID 108660158) is 4-hydroxy-3-(3-methylbutanoyl)-2-(5-methylfuran-2-yl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-3-(3-methylbutanoyl)-2-(5-methylfuran-2-yl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-3-(3-methylbutanoyl)-2-(5-methylfuran-2-yl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one is Cc1ccc(C2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2ccncc2)o1.
What is the InChIKey of 4-hydroxy-3-(3-methylbutanoyl)-2-(5-methylfuran-2-yl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is ZFTCMYUZJCJDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-12(2)10-15(23)17-18(16-5-4-13(3)26-16)22(20(25)19(17)24)11-14-6-8-21-9-7-14/h4-9,12,18,24H,10-11H2,1-3H3.
What are the key properties of 4-hydroxy-3-(3-methylbutanoyl)-2-(5-methylfuran-2-yl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
4-hydroxy-3-(3-methylbutanoyl)-2-(5-methylfuran-2-yl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 354.41 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(3-methylbutanoyl)-2-(5-methylfuran-2-yl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108660158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).