ethyl 3-methyl-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyridine-2-carboxylate

C15H14F3N3O3 — CID 162721731

IUPACethyl 3-methyl-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(Nc2cc(OC(F)(F)F)ccn2)ccc1C
InChIInChI=1S/C15H14F3N3O3/c1-3-23-14(22)13-9(2)4-5-11(21-13)20-12-8-10(6-7-19-12)24-15(16,17)18/h4-8H,3H2,1-2H3,(H,19,20,21)
InChIKeyQKLBDVIPCXFCGQ-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.60
Rot. Bonds5

About ethyl 3-methyl-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyridine-2-carboxylate

ethyl 3-methyl-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyridine-2-carboxylate (PubChem CID 162721731) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is ethyl 3-methyl-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyridine-2-carboxylate
PubChem CID162721731
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC Nameethyl 3-methyl-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(Nc2cc(OC(F)(F)F)ccn2)ccc1C
InChIInChI=1S/C15H14F3N3O3/c1-3-23-14(22)13-9(2)4-5-11(21-13)20-12-8-10(6-7-19-12)24-15(16,17)18/h4-8H,3H2,1-2H3,(H,19,20,21)
InChIKeyQKLBDVIPCXFCGQ-UHFFFAOYSA-N
XLogP3.60
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-methyl-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyridine-2-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 3-methyl-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-methyl-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyridine-2-carboxylate (CID 162721731) is ethyl 3-methyl-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyridine-2-carboxylate is CCOC(=O)c1nc(Nc2cc(OC(F)(F)F)ccn2)ccc1C.
What is the InChIKey of ethyl 3-methyl-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyridine-2-carboxylate?
The InChIKey is QKLBDVIPCXFCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c1-3-23-14(22)13-9(2)4-5-11(21-13)20-12-8-10(6-7-19-12)24-15(16,17)18/h4-8H,3H2,1-2H3,(H,19,20,21).
What are the key properties of ethyl 3-methyl-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyridine-2-carboxylate?
ethyl 3-methyl-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyridine-2-carboxylate has a molecular weight of 341.29 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 162721731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).