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

C17H17F3N2O4 — CID 5306691

IUPACethyl 6-methyl-2-oxo-4-[[2-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)CC1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H17F3N2O4/c1-3-26-16(25)14-9(2)21-13(23)8-10(14)15(24)22-12-7-5-4-6-11(12)17(18,19)20/h4-7,10H,3,8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBUTWUOXKHLGCGZ-UHFFFAOYSA-N
MW370.33 g/mol
LogP2.62
Rot. Bonds4

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

ethyl 6-methyl-2-oxo-4-[[2-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 5306691) has the molecular formula C17H17F3N2O4 and a molecular weight of 370.33 g/mol. Its IUPAC name is ethyl 6-methyl-2-oxo-4-[[2-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-2-oxo-4-[[2-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID5306691
Molecular FormulaC17H17F3N2O4
Molecular Weight370.33 g/mol
Exact Mass370.11
IUPAC Nameethyl 6-methyl-2-oxo-4-[[2-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)CC1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H17F3N2O4/c1-3-26-16(25)14-9(2)21-13(23)8-10(14)15(24)22-12-7-5-4-6-11(12)17(18,19)20/h4-7,10H,3,8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBUTWUOXKHLGCGZ-UHFFFAOYSA-N
XLogP2.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 6-methyl-2-oxo-4-[[2-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-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 ethyl 6-methyl-2-oxo-4-[[2-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-2-oxo-4-[[2-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate (CID 5306691) is ethyl 6-methyl-2-oxo-4-[[2-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-2-oxo-4-[[2-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-2-oxo-4-[[2-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate is CCOC(=O)C1=C(C)NC(=O)CC1C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of ethyl 6-methyl-2-oxo-4-[[2-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is BUTWUOXKHLGCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4/c1-3-26-16(25)14-9(2)21-13(23)8-10(14)15(24)22-12-7-5-4-6-11(12)17(18,19)20/h4-7,10H,3,8H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of ethyl 6-methyl-2-oxo-4-[[2-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate?
ethyl 6-methyl-2-oxo-4-[[2-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 370.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-2-oxo-4-[[2-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 5306691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).