4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2-pyridin-2-yl-2H-pyrrol-5-one

C19H18N2O3 — CID 108626200

IUPAC4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(c2ccccc2)C1c1ccccn1
InChIInChI=1S/C19H18N2O3/c1-12(2)17(22)15-16(14-10-6-7-11-20-14)21(19(24)18(15)23)13-8-4-3-5-9-13/h3-12,16,23H,1-2H3
InChIKeyXDXYTELFTCNZLT-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.21
Rot. Bonds4

About 4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2-pyridin-2-yl-2H-pyrrol-5-one

4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2-pyridin-2-yl-2H-pyrrol-5-one (PubChem CID 108626200) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2-pyridin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2-pyridin-2-yl-2H-pyrrol-5-one
PubChem CID108626200
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(c2ccccc2)C1c1ccccn1
InChIInChI=1S/C19H18N2O3/c1-12(2)17(22)15-16(14-10-6-7-11-20-14)21(19(24)18(15)23)13-8-4-3-5-9-13/h3-12,16,23H,1-2H3
InChIKeyXDXYTELFTCNZLT-UHFFFAOYSA-N
XLogP3.21
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-(4-methylphenyl)-3-(2-methylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626461
4-hydroxy-1-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626548
1-(1H-benzimidazol-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108590594
4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-2-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108627331
2-(4-ethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108594942
4-hydroxy-1-phenyl-2-pyridin-2-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108626146
4-hydroxy-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-1-phenyl-2H-pyrrol-5-one
CID 108662003
4-hydroxy-3-(2-methylpropanoyl)-1-(2-propan-2-yloxyethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108625157
4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108646263
4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-phenyl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626227
ethyl 2-[4-[4-hydroxy-3-(3-methylbutanoyl)-5-oxo-2-pyridin-2-yl-2H-pyrrol-1-yl]phenyl]acetate
CID 108672291
4-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-phenyl-2H-pyrrol-1-yl]benzenesulfonamide
CID 108678459

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2-pyridin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2-pyridin-2-yl-2H-pyrrol-5-one (CID 108626200) is 4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2-pyridin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2-pyridin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2-pyridin-2-yl-2H-pyrrol-5-one is CC(C)C(=O)C1=C(O)C(=O)N(c2ccccc2)C1c1ccccn1.
What is the InChIKey of 4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2-pyridin-2-yl-2H-pyrrol-5-one?
The InChIKey is XDXYTELFTCNZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12(2)17(22)15-16(14-10-6-7-11-20-14)21(19(24)18(15)23)13-8-4-3-5-9-13/h3-12,16,23H,1-2H3.
What are the key properties of 4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2-pyridin-2-yl-2H-pyrrol-5-one?
4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2-pyridin-2-yl-2H-pyrrol-5-one has a molecular weight of 322.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2-pyridin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108626200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).