N-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-phenylcyclopropanecarboxamide

C18H17F3N2O2 — CID 69483688

IUPACN-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-phenylcyclopropanecarboxamide
SMILESCOc1ncc(C(F)(F)F)cc1CN(C(=O)C1CC1)c1ccccc1
InChIInChI=1S/C18H17F3N2O2/c1-25-16-13(9-14(10-22-16)18(19,20)21)11-23(17(24)12-7-8-12)15-5-3-2-4-6-15/h2-6,9-10,12H,7-8,11H2,1H3
InChIKeyJXIKNCJNGMUAQV-UHFFFAOYSA-N
MW350.34 g/mol
LogP4.05
Rot. Bonds5

About N-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-phenylcyclopropanecarboxamide

N-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-phenylcyclopropanecarboxamide (PubChem CID 69483688) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is N-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-phenylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-phenylcyclopropanecarboxamide
PubChem CID69483688
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC NameN-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-phenylcyclopropanecarboxamide
SMILESCOc1ncc(C(F)(F)F)cc1CN(C(=O)C1CC1)c1ccccc1
InChIInChI=1S/C18H17F3N2O2/c1-25-16-13(9-14(10-22-16)18(19,20)21)11-23(17(24)12-7-8-12)15-5-3-2-4-6-15/h2-6,9-10,12H,7-8,11H2,1H3
InChIKeyJXIKNCJNGMUAQV-UHFFFAOYSA-N
XLogP4.05
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-phenylcyclopropanecarboxamide 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 N-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-phenylcyclopropanecarboxamide?
The IUPAC name of N-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-phenylcyclopropanecarboxamide (CID 69483688) is N-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-phenylcyclopropanecarboxamide.
What is the SMILES notation for N-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-phenylcyclopropanecarboxamide?
The canonical SMILES for N-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-phenylcyclopropanecarboxamide is COc1ncc(C(F)(F)F)cc1CN(C(=O)C1CC1)c1ccccc1.
What is the InChIKey of N-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-phenylcyclopropanecarboxamide?
The InChIKey is JXIKNCJNGMUAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-25-16-13(9-14(10-22-16)18(19,20)21)11-23(17(24)12-7-8-12)15-5-3-2-4-6-15/h2-6,9-10,12H,7-8,11H2,1H3.
What are the key properties of N-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-phenylcyclopropanecarboxamide?
N-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-phenylcyclopropanecarboxamide has a molecular weight of 350.34 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-phenylcyclopropanecarboxamide is sourced from PubChem (CID 69483688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).