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

C22H18N2O4 — CID 646986

IUPAC3-(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)C1c1cccnc1)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
InChIKeyPOGSBIMVYXWKSS-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.50
Rot. Bonds6

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

3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 646986) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID646986
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name3-(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)C1c1cccnc1)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
InChIKeyPOGSBIMVYXWKSS-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one (CID 646986) is 3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for 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)C1c1cccnc1)c1ccco1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is POGSBIMVYXWKSS-UHFFFAOYSA-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.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
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 3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 646986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).