1-cyclopentyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile

C21H22N2O4 — CID 19116231

IUPAC1-cyclopentyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(CC(=O)c2c(C)c(C#N)c(=O)n(C3CCCC3)c2O)cc1
InChIInChI=1S/C21H22N2O4/c1-13-17(12-22)20(25)23(15-5-3-4-6-15)21(26)19(13)18(24)11-14-7-9-16(27-2)10-8-14/h7-10,15,26H,3-6,11H2,1-2H3
InChIKeyGYXQVZBQMAUVBG-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.28
Rot. Bonds5

About 1-cyclopentyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile

1-cyclopentyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19116231) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-cyclopentyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopentyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19116231
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name1-cyclopentyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(CC(=O)c2c(C)c(C#N)c(=O)n(C3CCCC3)c2O)cc1
InChIInChI=1S/C21H22N2O4/c1-13-17(12-22)20(25)23(15-5-3-4-6-15)21(26)19(13)18(24)11-14-7-9-16(27-2)10-8-14/h7-10,15,26H,3-6,11H2,1-2H3
InChIKeyGYXQVZBQMAUVBG-UHFFFAOYSA-N
XLogP3.28
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-cyclopentyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile (CID 19116231) is 1-cyclopentyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-cyclopentyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-cyclopentyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile is COc1ccc(CC(=O)c2c(C)c(C#N)c(=O)n(C3CCCC3)c2O)cc1.
What is the InChIKey of 1-cyclopentyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is GYXQVZBQMAUVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-13-17(12-22)20(25)23(15-5-3-4-6-15)21(26)19(13)18(24)11-14-7-9-16(27-2)10-8-14/h7-10,15,26H,3-6,11H2,1-2H3.
What are the key properties of 1-cyclopentyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile?
1-cyclopentyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 366.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19116231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).