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

C24H22N2O4 — CID 108591121

IUPAC1-(4-tert-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2cccnc2)cc1
InChIInChI=1S/C24H22N2O4/c1-24(2,3)16-8-10-17(11-9-16)26-20(15-6-4-12-25-14-15)19(22(28)23(26)29)21(27)18-7-5-13-30-18/h4-14,20,28H,1-3H3
InChIKeyXBUGRBVIZPUDCO-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.76
Rot. Bonds4

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

1-(4-tert-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 108591121) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID108591121
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name1-(4-tert-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2cccnc2)cc1
InChIInChI=1S/C24H22N2O4/c1-24(2,3)16-8-10-17(11-9-16)26-20(15-6-4-12-25-14-15)19(22(28)23(26)29)21(27)18-7-5-13-30-18/h4-14,20,28H,1-3H3
InChIKeyXBUGRBVIZPUDCO-UHFFFAOYSA-N
XLogP4.76
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 4-[3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]benzoate
CID 108673510
3-(furan-2-carbonyl)-4-hydroxy-1-(2-methylphenyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108630457
1-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108673423
1-(1,3-benzodioxol-5-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591208
N-[3-[3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]phenyl]acetamide
CID 108592077
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 7023487
3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108630788
3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108670553
(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 1081145
3-[(2R)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]propyl-dimethylazanium
CID 6971479
(2R)-1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 1155449
1-[2-(diethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108631621

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one (CID 108591121) is 1-(4-tert-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one is CC(C)(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2cccnc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is XBUGRBVIZPUDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-24(2,3)16-8-10-17(11-9-16)26-20(15-6-4-12-25-14-15)19(22(28)23(26)29)21(27)18-7-5-13-30-18/h4-14,20,28H,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
1-(4-tert-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 402.45 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108591121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).