(2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one

C23H20N2O4 — CID 1081158

IUPAC(2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccncc2)o1
InChIInChI=1S/C23H20N2O4/c1-15-7-8-18(29-15)21(26)19-20(17-9-12-24-13-10-17)25(23(28)22(19)27)14-11-16-5-3-2-4-6-16/h2-10,12-13,20,27H,11,14H2,1H3/t20-/m1/s1
InChIKeyFTXHVTXTNNAMHO-HXUWFJFHSA-N
MW388.42 g/mol
LogP3.80
Rot. Bonds6

About (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one

(2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one (PubChem CID 1081158) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one
PubChem CID1081158
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name(2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccncc2)o1
InChIInChI=1S/C23H20N2O4/c1-15-7-8-18(29-15)21(26)19-20(17-9-12-24-13-10-17)25(23(28)22(19)27)14-11-16-5-3-2-4-6-16/h2-10,12-13,20,27H,11,14H2,1H3/t20-/m1/s1
InChIKeyFTXHVTXTNNAMHO-HXUWFJFHSA-N
XLogP3.80
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-benzofuran-2-carbonyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108594310
(2R)-4-hydroxy-2-(4-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 985727
1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108594360
1-benzyl-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 3387018
(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 1081145
(2S)-2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 7182905
2-[3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-dimethylazanium
CID 4242982
4-hydroxy-2-(4-methoxyphenyl)-1-(3-methoxypropyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 2917712
4-hydroxy-2-(4-methoxyphenyl)-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3694971
2-(4-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 3401778
(2S)-2-(4-chlorophenyl)-4-hydroxy-1-(3-methoxypropyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 7182545
4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(3-phenylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108594177

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one?
The IUPAC name of (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one (CID 1081158) is (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one?
The canonical SMILES for (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one is Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccncc2)o1.
What is the InChIKey of (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one?
The InChIKey is FTXHVTXTNNAMHO-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-15-7-8-18(29-15)21(26)19-20(17-9-12-24-13-10-17)25(23(28)22(19)27)14-11-16-5-3-2-4-6-16/h2-10,12-13,20,27H,11,14H2,1H3/t20-/m1/s1.
What are the key properties of (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one?
(2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one has a molecular weight of 388.42 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one is sourced from PubChem (CID 1081158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).