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

C16H15F3N2O4 — CID 3162778

IUPACmethyl 6-methyl-2-oxo-4-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(C)NC(=O)CC1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O4/c1-8-13(15(24)25-2)11(7-12(22)20-8)14(23)21-10-5-3-4-9(6-10)16(17,18)19/h3-6,11H,7H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZMWVXYYKUDAIQF-UHFFFAOYSA-N
MW356.30 g/mol
LogP2.23
Rot. Bonds3

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

methyl 6-methyl-2-oxo-4-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 3162778) has the molecular formula C16H15F3N2O4 and a molecular weight of 356.30 g/mol. Its IUPAC name is methyl 6-methyl-2-oxo-4-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-2-oxo-4-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID3162778
Molecular FormulaC16H15F3N2O4
Molecular Weight356.30 g/mol
Exact Mass356.10
IUPAC Namemethyl 6-methyl-2-oxo-4-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(C)NC(=O)CC1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O4/c1-8-13(15(24)25-2)11(7-12(22)20-8)14(23)21-10-5-3-4-9(6-10)16(17,18)19/h3-6,11H,7H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZMWVXYYKUDAIQF-UHFFFAOYSA-N
XLogP2.23
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-2-oxo-4-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of methyl 6-methyl-2-oxo-4-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate (CID 3162778) is methyl 6-methyl-2-oxo-4-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 6-methyl-2-oxo-4-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for methyl 6-methyl-2-oxo-4-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate is COC(=O)C1=C(C)NC(=O)CC1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of methyl 6-methyl-2-oxo-4-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is ZMWVXYYKUDAIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4/c1-8-13(15(24)25-2)11(7-12(22)20-8)14(23)21-10-5-3-4-9(6-10)16(17,18)19/h3-6,11H,7H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of methyl 6-methyl-2-oxo-4-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate?
methyl 6-methyl-2-oxo-4-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 356.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-2-oxo-4-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 3162778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).