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

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Related Compounds

[(2S)-2-ethyl-5,5-difluoropiperidin-1-yl]-[3-fluoro-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]-2-pyridinyl]methanone
CID 170192188
2,6-dimethyl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine
CID 163629227
ethyl 2-methyl-4-(trifluoromethoxy)benzoate
CID 134541854
[5,5-difluoro-1-[5-methyl-2-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyridine-4-carbonyl]piperidin-2-yl]methyl carbamate
CID 175396184
N-[(3R)-1-[6-[[4-(1,1-difluoroethoxy)-2-pyridinyl]amino]-3-methylpyridine-2-carbonyl]-5,5-difluoropiperidin-3-yl]acetamide
CID 170192168
ethyl 2-[2-chloro-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxylate
CID 166061369
ethyl 2-ethyl-5-(trifluoromethoxy)benzoate
CID 170266184
[5,5-difluoro-1-[2-methyl-5-[[4-(trifluoromethoxy)-2-pyridinyl]amino]benzoyl]piperidin-2-yl]methyl carbamate
CID 175396226
[(2R)-5,5-difluoro-1-[2-methyl-5-[[4-(trifluoromethoxy)-2-pyridinyl]amino]benzoyl]piperidin-2-yl]methyl carbamate
CID 175396225
ethyl 2-[[2-(3,4-dimethylanilino)pyrimidin-4-yl]amino]benzoate
CID 112902600
ethyl 4-amino-3-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 133087422
ethyl 2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate
CID 54292965

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).