1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile

C23H26N2O4 — CID 19116219

IUPAC1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile
SMILESCc1c(C(=O)COc2ccc(C(C)C)cc2)c(O)n(C2CCCC2)c(=O)c1C#N
InChIInChI=1S/C23H26N2O4/c1-14(2)16-8-10-18(11-9-16)29-13-20(26)21-15(3)19(12-24)22(27)25(23(21)28)17-6-4-5-7-17/h8-11,14,17,28H,4-7,13H2,1-3H3
InChIKeyUKBDEJTUVVGCNE-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.23
Rot. Bonds6

About 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile

1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile (PubChem CID 19116219) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile
PubChem CID19116219
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile
SMILESCc1c(C(=O)COc2ccc(C(C)C)cc2)c(O)n(C2CCCC2)c(=O)c1C#N
InChIInChI=1S/C23H26N2O4/c1-14(2)16-8-10-18(11-9-16)29-13-20(26)21-15(3)19(12-24)22(27)25(23(21)28)17-6-4-5-7-17/h8-11,14,17,28H,4-7,13H2,1-3H3
InChIKeyUKBDEJTUVVGCNE-UHFFFAOYSA-N
XLogP4.23
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile 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-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile?
The IUPAC name of 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile (CID 19116219) is 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile.
What is the SMILES notation for 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile?
The canonical SMILES for 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile is Cc1c(C(=O)COc2ccc(C(C)C)cc2)c(O)n(C2CCCC2)c(=O)c1C#N.
What is the InChIKey of 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile?
The InChIKey is UKBDEJTUVVGCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-14(2)16-8-10-18(11-9-16)29-13-20(26)21-15(3)19(12-24)22(27)25(23(21)28)17-6-4-5-7-17/h8-11,14,17,28H,4-7,13H2,1-3H3.
What are the key properties of 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile?
1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile has a molecular weight of 394.47 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile is sourced from PubChem (CID 19116219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).