ethyl 2-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]-2-pyridinyl]acetate

C17H15F3N2O4 — CID 1490625

IUPACethyl 2-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1ncccc1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H15F3N2O4/c1-2-25-15(23)10-14-13(4-3-9-21-14)16(24)22-11-5-7-12(8-6-11)26-17(18,19)20/h3-9H,2,10H2,1H3,(H,22,24)
InChIKeyDPESQYWBICPDAA-UHFFFAOYSA-N
MW368.31 g/mol
LogP3.34
Rot. Bonds6

About ethyl 2-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]-2-pyridinyl]acetate

ethyl 2-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]-2-pyridinyl]acetate (PubChem CID 1490625) has the molecular formula C17H15F3N2O4 and a molecular weight of 368.31 g/mol. Its IUPAC name is ethyl 2-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]-2-pyridinyl]acetate
PubChem CID1490625
Molecular FormulaC17H15F3N2O4
Molecular Weight368.31 g/mol
Exact Mass368.10
IUPAC Nameethyl 2-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1ncccc1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H15F3N2O4/c1-2-25-15(23)10-14-13(4-3-9-21-14)16(24)22-11-5-7-12(8-6-11)26-17(18,19)20/h3-9H,2,10H2,1H3,(H,22,24)
InChIKeyDPESQYWBICPDAA-UHFFFAOYSA-N
XLogP3.34
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]-2-pyridinyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62060327
1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
CID 142144730
2-(4-fluoroanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632891
N-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 23632434
ethyl 2-[3-[[2-(3,3,3-trifluoropropylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]-2-pyridinyl]acetate
CID 4645054
ethyl 2-[3-[[2-(2,2-difluoroethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]-2-pyridinyl]acetate
CID 3772508
2-(cyclohexylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632911
2-(3-methoxyanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632895
2-(2-bromoanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632906
5-methyl-1-pyridin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 15944140
2-(3-fluoroanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632897
2-[(2-bromo-4-pyridinyl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 10458018

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]-2-pyridinyl]acetate (CID 1490625) is ethyl 2-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]-2-pyridinyl]acetate is CCOC(=O)Cc1ncccc1C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of ethyl 2-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]-2-pyridinyl]acetate?
The InChIKey is DPESQYWBICPDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O4/c1-2-25-15(23)10-14-13(4-3-9-21-14)16(24)22-11-5-7-12(8-6-11)26-17(18,19)20/h3-9H,2,10H2,1H3,(H,22,24).
What are the key properties of ethyl 2-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]-2-pyridinyl]acetate?
ethyl 2-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]-2-pyridinyl]acetate has a molecular weight of 368.31 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]-2-pyridinyl]acetate is sourced from PubChem (CID 1490625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).