1,6-dimethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylic acid

C15H14F3NO3 — CID 68827536

IUPAC1,6-dimethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylic acid
SMILESCC1=C(C(=O)O)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1C
InChIInChI=1S/C15H14F3NO3/c1-8-13(14(21)22)11(7-12(20)19(8)2)9-3-5-10(6-4-9)15(16,17)18/h3-6,11H,7H2,1-2H3,(H,21,22)
InChIKeyPVXRYEZTWHNYTG-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.01
Rot. Bonds2

About 1,6-dimethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylic acid

1,6-dimethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylic acid (PubChem CID 68827536) has the molecular formula C15H14F3NO3 and a molecular weight of 313.28 g/mol. Its IUPAC name is 1,6-dimethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylic acid.

Molecular Properties

Compound Name1,6-dimethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylic acid
PubChem CID68827536
Molecular FormulaC15H14F3NO3
Molecular Weight313.28 g/mol
Exact Mass313.09
IUPAC Name1,6-dimethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylic acid
SMILESCC1=C(C(=O)O)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1C
InChIInChI=1S/C15H14F3NO3/c1-8-13(14(21)22)11(7-12(20)19(8)2)9-3-5-10(6-4-9)15(16,17)18/h3-6,11H,7H2,1-2H3,(H,21,22)
InChIKeyPVXRYEZTWHNYTG-UHFFFAOYSA-N
XLogP3.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2H-indazol-5-yl)-1,6-dimethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxamide
CID 11328719
propan-2-yl 1-benzyl-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
CID 46049386
dimethyl 1,2,6-trimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
CID 2167221
ethyl 3,4-dimethyl-2-oxo-6-[4-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate
CID 5205923
benzyl 1-[(2,3-difluorophenyl)methyl]-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
CID 42854117
propan-2-yl 6-methyl-1-[(2-methylphenyl)methyl]-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
CID 46049390
tert-butyl 1-[(2,4-difluorophenyl)methyl]-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
CID 42854626
benzyl (6R)-3,4-dimethyl-2-oxo-6-[4-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate
CID 1038416
(3S)-1-[(2R,3S)-1-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 125148744
ethyl 6-methyl-1-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
CID 42761348
4-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid
CID 115062318
ethyl 1-[2-(2-fluoroanilino)-2-oxoethyl]-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
CID 42761336

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylic acid?
The IUPAC name of 1,6-dimethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylic acid (CID 68827536) is 1,6-dimethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylic acid.
What is the SMILES notation for 1,6-dimethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylic acid?
The canonical SMILES for 1,6-dimethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylic acid is CC1=C(C(=O)O)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1C.
What is the InChIKey of 1,6-dimethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylic acid?
The InChIKey is PVXRYEZTWHNYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3/c1-8-13(14(21)22)11(7-12(20)19(8)2)9-3-5-10(6-4-9)15(16,17)18/h3-6,11H,7H2,1-2H3,(H,21,22).
What are the key properties of 1,6-dimethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylic acid?
1,6-dimethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylic acid has a molecular weight of 313.28 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylic acid is sourced from PubChem (CID 68827536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).