1-cyclopentyl-6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile

C20H20N2O3 — CID 19116138

IUPAC1-cyclopentyl-6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile
SMILESCc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n(C2CCCC2)c1O
InChIInChI=1S/C20H20N2O3/c1-12-7-3-6-10-15(12)18(23)17-13(2)16(11-21)19(24)22(20(17)25)14-8-4-5-9-14/h3,6-7,10,14,25H,4-5,8-9H2,1-2H3
InChIKeyLSAFWOLIPBLCJZ-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.39
Rot. Bonds3

About 1-cyclopentyl-6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile

1-cyclopentyl-6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile (PubChem CID 19116138) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-cyclopentyl-6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopentyl-6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile
PubChem CID19116138
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1-cyclopentyl-6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile
SMILESCc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n(C2CCCC2)c1O
InChIInChI=1S/C20H20N2O3/c1-12-7-3-6-10-15(12)18(23)17-13(2)16(11-21)19(24)22(20(17)25)14-8-4-5-9-14/h3,6-7,10,14,25H,4-5,8-9H2,1-2H3
InChIKeyLSAFWOLIPBLCJZ-UHFFFAOYSA-N
XLogP3.39
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclopentyl-6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxopyridine-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-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-cyclopentyl-6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile (CID 19116138) is 1-cyclopentyl-6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-cyclopentyl-6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-cyclopentyl-6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile is Cc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n(C2CCCC2)c1O.
What is the InChIKey of 1-cyclopentyl-6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is LSAFWOLIPBLCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-12-7-3-6-10-15(12)18(23)17-13(2)16(11-21)19(24)22(20(17)25)14-8-4-5-9-14/h3,6-7,10,14,25H,4-5,8-9H2,1-2H3.
What are the key properties of 1-cyclopentyl-6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile?
1-cyclopentyl-6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 336.39 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19116138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).