propan-2-yl 3-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]benzoate

C23H24N2O5 — CID 108673244

IUPACpropan-2-yl 3-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]benzoate
SMILESCC(C)OC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2c2cccnc2)c1
InChIInChI=1S/C23H24N2O5/c1-13(2)20(26)18-19(16-8-6-10-24-12-16)25(22(28)21(18)27)17-9-5-7-15(11-17)23(29)30-14(3)4/h5-14,19,27H,1-4H3
InChIKeyMGJRLNWCGDHNFJ-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.77
Rot. Bonds6

About propan-2-yl 3-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]benzoate

propan-2-yl 3-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]benzoate (PubChem CID 108673244) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is propan-2-yl 3-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]benzoate.

Molecular Properties

Compound Namepropan-2-yl 3-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]benzoate
PubChem CID108673244
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Namepropan-2-yl 3-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]benzoate
SMILESCC(C)OC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2c2cccnc2)c1
InChIInChI=1S/C23H24N2O5/c1-13(2)20(26)18-19(16-8-6-10-24-12-16)25(22(28)21(18)27)17-9-5-7-15(11-17)23(29)30-14(3)4/h5-14,19,27H,1-4H3
InChIKeyMGJRLNWCGDHNFJ-UHFFFAOYSA-N
XLogP3.77
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chlorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108629930
propan-2-yl 3-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]benzoate
CID 108673221
4-hydroxy-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591029
propan-2-yl 4-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]benzoate
CID 108674027
4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108629325
4-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]benzonitrile
CID 108630365
propan-2-yl 3-[(4E)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-2,3-dioxo-5-pyridin-3-ylpyrrolidin-1-yl]benzoate
CID 108673255
propan-2-yl 4-[4-hydroxy-5-oxo-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-1-yl]benzoate
CID 108673175
1-(2,5-dimethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108629585
propan-2-yl 3-[4-hydroxy-5-oxo-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzoate
CID 108678061
1-(4-chloro-2-methylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591898
propan-2-yl 3-[(4E)-4-[hydroxy-(3-methyl-4-phenylmethoxyphenyl)methylidene]-2,3-dioxo-5-pyridin-3-ylpyrrolidin-1-yl]benzoate
CID 108673258

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]benzoate?
The IUPAC name of propan-2-yl 3-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]benzoate (CID 108673244) is propan-2-yl 3-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]benzoate.
What is the SMILES notation for propan-2-yl 3-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]benzoate?
The canonical SMILES for propan-2-yl 3-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]benzoate is CC(C)OC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2c2cccnc2)c1.
What is the InChIKey of propan-2-yl 3-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]benzoate?
The InChIKey is MGJRLNWCGDHNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-13(2)20(26)18-19(16-8-6-10-24-12-16)25(22(28)21(18)27)17-9-5-7-15(11-17)23(29)30-14(3)4/h5-14,19,27H,1-4H3.
What are the key properties of propan-2-yl 3-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]benzoate?
propan-2-yl 3-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]benzoate has a molecular weight of 408.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]benzoate is sourced from PubChem (CID 108673244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).