cyclopentyl 4-(2,4-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

C18H19F2NO3 — CID 15989862

IUPACcyclopentyl 4-(2,4-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCC1=C(C(=O)OC2CCCC2)C(c2ccc(F)cc2F)CC(=O)N1
InChIInChI=1S/C18H19F2NO3/c1-10-17(18(23)24-12-4-2-3-5-12)14(9-16(22)21-10)13-7-6-11(19)8-15(13)20/h6-8,12,14H,2-5,9H2,1H3,(H,21,22)
InChIKeyLOAXUQYTDAJJHD-UHFFFAOYSA-N
MW335.35 g/mol
LogP3.33
Rot. Bonds3

About cyclopentyl 4-(2,4-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

cyclopentyl 4-(2,4-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 15989862) has the molecular formula C18H19F2NO3 and a molecular weight of 335.35 g/mol. Its IUPAC name is cyclopentyl 4-(2,4-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Namecyclopentyl 4-(2,4-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID15989862
Molecular FormulaC18H19F2NO3
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC Namecyclopentyl 4-(2,4-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCC1=C(C(=O)OC2CCCC2)C(c2ccc(F)cc2F)CC(=O)N1
InChIInChI=1S/C18H19F2NO3/c1-10-17(18(23)24-12-4-2-3-5-12)14(9-16(22)21-10)13-7-6-11(19)8-15(13)20/h6-8,12,14H,2-5,9H2,1H3,(H,21,22)
InChIKeyLOAXUQYTDAJJHD-UHFFFAOYSA-N
XLogP3.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-(2,4-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of cyclopentyl 4-(2,4-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (CID 15989862) is cyclopentyl 4-(2,4-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for cyclopentyl 4-(2,4-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for cyclopentyl 4-(2,4-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is CC1=C(C(=O)OC2CCCC2)C(c2ccc(F)cc2F)CC(=O)N1.
What is the InChIKey of cyclopentyl 4-(2,4-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is LOAXUQYTDAJJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3/c1-10-17(18(23)24-12-4-2-3-5-12)14(9-16(22)21-10)13-7-6-11(19)8-15(13)20/h6-8,12,14H,2-5,9H2,1H3,(H,21,22).
What are the key properties of cyclopentyl 4-(2,4-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
cyclopentyl 4-(2,4-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 335.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-(2,4-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 15989862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).