cyclopentyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate

C19H20F3NO3 — CID 6485684

IUPACcyclopentyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCC1=C(C(=O)OC2CCCC2)C(c2ccccc2C(F)(F)F)CC(=O)N1
InChIInChI=1S/C19H20F3NO3/c1-11-17(18(25)26-12-6-2-3-7-12)14(10-16(24)23-11)13-8-4-5-9-15(13)19(20,21)22/h4-5,8-9,12,14H,2-3,6-7,10H2,1H3,(H,23,24)
InChIKeyUKQCENWSGLDVAW-UHFFFAOYSA-N
MW367.37 g/mol
LogP4.07
Rot. Bonds3

About cyclopentyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate

cyclopentyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 6485684) has the molecular formula C19H20F3NO3 and a molecular weight of 367.37 g/mol. Its IUPAC name is cyclopentyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Namecyclopentyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID6485684
Molecular FormulaC19H20F3NO3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC Namecyclopentyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCC1=C(C(=O)OC2CCCC2)C(c2ccccc2C(F)(F)F)CC(=O)N1
InChIInChI=1S/C19H20F3NO3/c1-11-17(18(25)26-12-6-2-3-7-12)14(10-16(24)23-11)13-8-4-5-9-15(13)19(20,21)22/h4-5,8-9,12,14H,2-3,6-7,10H2,1H3,(H,23,24)
InChIKeyUKQCENWSGLDVAW-UHFFFAOYSA-N
XLogP4.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of cyclopentyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate (CID 6485684) is cyclopentyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for cyclopentyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for cyclopentyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate is CC1=C(C(=O)OC2CCCC2)C(c2ccccc2C(F)(F)F)CC(=O)N1.
What is the InChIKey of cyclopentyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is UKQCENWSGLDVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO3/c1-11-17(18(25)26-12-6-2-3-7-12)14(10-16(24)23-11)13-8-4-5-9-15(13)19(20,21)22/h4-5,8-9,12,14H,2-3,6-7,10H2,1H3,(H,23,24).
What are the key properties of cyclopentyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate?
cyclopentyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 367.37 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 6485684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).