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

C21H23N3O5 — CID 2909302

IUPAC3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCCN2CCOCC2)C1c1cccnc1)c1ccco1
InChIInChI=1S/C21H23N3O5/c25-19(16-5-2-11-29-16)17-18(15-4-1-6-22-14-15)24(21(27)20(17)26)8-3-7-23-9-12-28-13-10-23/h1-2,4-6,11,14,18,26H,3,7-10,12-13H2
InChIKeyUQICMZYOPFBSGA-UHFFFAOYSA-N
MW397.43 g/mol
LogP1.98
Rot. Bonds7

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

3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 2909302) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID2909302
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCCN2CCOCC2)C1c1cccnc1)c1ccco1
InChIInChI=1S/C21H23N3O5/c25-19(16-5-2-11-29-16)17-18(15-4-1-6-22-14-15)24(21(27)20(17)26)8-3-7-23-9-12-28-13-10-23/h1-2,4-6,11,14,18,26H,3,7-10,12-13H2
InChIKeyUQICMZYOPFBSGA-UHFFFAOYSA-N
XLogP1.98
TPSA96.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one (CID 2909302) is 3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)C1c1cccnc1)c1ccco1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is UQICMZYOPFBSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c25-19(16-5-2-11-29-16)17-18(15-4-1-6-22-14-15)24(21(27)20(17)26)8-3-7-23-9-12-28-13-10-23/h1-2,4-6,11,14,18,26H,3,7-10,12-13H2.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 397.43 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 2909302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).