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

C24H22N2O4 — CID 108589470

IUPAC1-(4-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESCCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccccn2)cc1
InChIInChI=1S/C24H22N2O4/c1-2-3-7-16-10-12-17(13-11-16)26-21(18-8-4-5-14-25-18)20(23(28)24(26)29)22(27)19-9-6-15-30-19/h4-6,8-15,21,28H,2-3,7H2,1H3
InChIKeyMCOKIEJFFORJOD-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.80
Rot. Bonds7

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

1-(4-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one (PubChem CID 108589470) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
PubChem CID108589470
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name1-(4-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESCCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccccn2)cc1
InChIInChI=1S/C24H22N2O4/c1-2-3-7-16-10-12-17(13-11-16)26-21(18-8-4-5-14-25-18)20(23(28)24(26)29)22(27)19-9-6-15-30-19/h4-6,8-15,21,28H,2-3,7H2,1H3
InChIKeyMCOKIEJFFORJOD-UHFFFAOYSA-N
XLogP4.80
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-carbonyl)-4-hydroxy-1-(4-piperidin-1-ylphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108672205
3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 75793823
diethyl-[2-[(2R)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-2-yl-2H-pyrrol-1-yl]ethyl]azanium
CID 6988293
1-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one
CID 108606657
3-(furan-2-carbonyl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108628215
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108625701
4-hydroxy-1-(4-phenylmethoxyphenyl)-3-propanoyl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108723134
3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 3770617
[4-[1-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]phenyl] acetate
CID 108687653
propyl 4-[3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]benzoate
CID 108673510
1-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108597781
1-(4-tert-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591121

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 1-(4-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one (CID 108589470) is 1-(4-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(4-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-(4-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one is CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccccn2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one?
The InChIKey is MCOKIEJFFORJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-2-3-7-16-10-12-17(13-11-16)26-21(18-8-4-5-14-25-18)20(23(28)24(26)29)22(27)19-9-6-15-30-19/h4-6,8-15,21,28H,2-3,7H2,1H3.
What are the key properties of 1-(4-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one?
1-(4-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one has a molecular weight of 402.45 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108589470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).