(2-methoxycyclopentyl) 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylate

C19H21NO4 — CID 84586297

IUPAC(2-methoxycyclopentyl) 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylate
SMILESCOC1CCCC1OC(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O
InChIInChI=1S/C19H21NO4/c1-12-14(13-7-4-3-5-8-13)11-15(18(21)20-12)19(22)24-17-10-6-9-16(17)23-2/h3-5,7-8,11,16-17H,6,9-10H2,1-2H3,(H,20,21)
InChIKeyGXIRKHXIWCLGBZ-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.07
Rot. Bonds4

About (2-methoxycyclopentyl) 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylate

(2-methoxycyclopentyl) 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylate (PubChem CID 84586297) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2-methoxycyclopentyl) 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name(2-methoxycyclopentyl) 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylate
PubChem CID84586297
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(2-methoxycyclopentyl) 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylate
SMILESCOC1CCCC1OC(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O
InChIInChI=1S/C19H21NO4/c1-12-14(13-7-4-3-5-8-13)11-15(18(21)20-12)19(22)24-17-10-6-9-16(17)23-2/h3-5,7-8,11,16-17H,6,9-10H2,1-2H3,(H,20,21)
InChIKeyGXIRKHXIWCLGBZ-UHFFFAOYSA-N
XLogP3.07
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-methoxycyclopentyl) 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylate 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 (2-methoxycyclopentyl) 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylate?
The IUPAC name of (2-methoxycyclopentyl) 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylate (CID 84586297) is (2-methoxycyclopentyl) 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylate.
What is the SMILES notation for (2-methoxycyclopentyl) 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylate?
The canonical SMILES for (2-methoxycyclopentyl) 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylate is COC1CCCC1OC(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O.
What is the InChIKey of (2-methoxycyclopentyl) 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylate?
The InChIKey is GXIRKHXIWCLGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-12-14(13-7-4-3-5-8-13)11-15(18(21)20-12)19(22)24-17-10-6-9-16(17)23-2/h3-5,7-8,11,16-17H,6,9-10H2,1-2H3,(H,20,21).
What are the key properties of (2-methoxycyclopentyl) 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylate?
(2-methoxycyclopentyl) 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxycyclopentyl) 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylate is sourced from PubChem (CID 84586297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).