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

C22H18N2O4 — CID 1081145

IUPAC(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccnc1)c1ccco1
InChIInChI=1S/C22H18N2O4/c25-20(17-9-5-13-28-17)18-19(16-8-4-11-23-14-16)24(22(27)21(18)26)12-10-15-6-2-1-3-7-15/h1-9,11,13-14,19,26H,10,12H2/t19-/m1/s1
InChIKeyPOGSBIMVYXWKSS-LJQANCHMSA-N
MW374.40 g/mol
LogP3.50
Rot. Bonds6

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

(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 1081145) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID1081145
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccnc1)c1ccco1
InChIInChI=1S/C22H18N2O4/c25-20(17-9-5-13-28-17)18-19(16-8-4-11-23-14-16)24(22(27)21(18)26)12-10-15-6-2-1-3-7-15/h1-9,11,13-14,19,26H,10,12H2/t19-/m1/s1
InChIKeyPOGSBIMVYXWKSS-LJQANCHMSA-N
XLogP3.50
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one with MolForge

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Launch Full Analysis

Related Compounds

1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108592338
3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108630788
(2R)-1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 1155449
3-[(2R)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]propyl-dimethylazanium
CID 6971479
1-[2-(diethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108631621
3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 3402408
3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108630872
2-(4-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 3401778
3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 3401787
3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 4756305
3-(furan-2-carbonyl)-4-hydroxy-1-(2-methylphenyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108630457
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-yl-2H-pyrrol-5-one
CID 51552216

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one (CID 1081145) is (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccnc1)c1ccco1.
What is the InChIKey of (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is POGSBIMVYXWKSS-LJQANCHMSA-N. The full InChI is InChI=1S/C22H18N2O4/c25-20(17-9-5-13-28-17)18-19(16-8-4-11-23-14-16)24(22(27)21(18)26)12-10-15-6-2-1-3-7-15/h1-9,11,13-14,19,26H,10,12H2/t19-/m1/s1.
What are the key properties of (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 374.40 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 1081145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).