1-cyclohexyl-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one

C24H26N2O3 — CID 108631115

IUPAC1-cyclohexyl-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESO=C(CCc1ccccc1)C1=C(O)C(=O)N(C2CCCCC2)C1c1cccnc1
InChIInChI=1S/C24H26N2O3/c27-20(14-13-17-8-3-1-4-9-17)21-22(18-10-7-15-25-16-18)26(24(29)23(21)28)19-11-5-2-6-12-19/h1,3-4,7-10,15-16,19,22,28H,2,5-6,11-14H2
InChIKeyKZTBYSLBKAMARA-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.31
Rot. Bonds6

About 1-cyclohexyl-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one

1-cyclohexyl-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 108631115) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-cyclohexyl-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-cyclohexyl-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID108631115
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name1-cyclohexyl-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESO=C(CCc1ccccc1)C1=C(O)C(=O)N(C2CCCCC2)C1c1cccnc1
InChIInChI=1S/C24H26N2O3/c27-20(14-13-17-8-3-1-4-9-17)21-22(18-10-7-15-25-16-18)26(24(29)23(21)28)19-11-5-2-6-12-19/h1,3-4,7-10,15-16,19,22,28H,2,5-6,11-14H2
InChIKeyKZTBYSLBKAMARA-UHFFFAOYSA-N
XLogP4.31
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of 1-cyclohexyl-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one (CID 108631115) is 1-cyclohexyl-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-cyclohexyl-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-cyclohexyl-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one is O=C(CCc1ccccc1)C1=C(O)C(=O)N(C2CCCCC2)C1c1cccnc1.
What is the InChIKey of 1-cyclohexyl-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is KZTBYSLBKAMARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c27-20(14-13-17-8-3-1-4-9-17)21-22(18-10-7-15-25-16-18)26(24(29)23(21)28)19-11-5-2-6-12-19/h1,3-4,7-10,15-16,19,22,28H,2,5-6,11-14H2.
What are the key properties of 1-cyclohexyl-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
1-cyclohexyl-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 390.48 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108631115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).