(3-ethoxy-6-methyl-2-pyridinyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone

C20H23F3N4O2 — CID 134503175

IUPAC(3-ethoxy-6-methyl-2-pyridinyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
SMILESCCOc1ccc(C)nc1C(=O)N1CCCC(Nc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C20H23F3N4O2/c1-3-29-16-8-6-13(2)25-18(16)19(28)27-10-4-5-15(12-27)26-17-9-7-14(11-24-17)20(21,22)23/h6-9,11,15H,3-5,10,12H2,1-2H3,(H,24,26)
InChIKeyJPGHOHKBOPXJDZ-UHFFFAOYSA-N
MW408.42 g/mol
LogP3.92
Rot. Bonds5

About (3-ethoxy-6-methyl-2-pyridinyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone

(3-ethoxy-6-methyl-2-pyridinyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone (PubChem CID 134503175) has the molecular formula C20H23F3N4O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is (3-ethoxy-6-methyl-2-pyridinyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethoxy-6-methyl-2-pyridinyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
PubChem CID134503175
Molecular FormulaC20H23F3N4O2
Molecular Weight408.42 g/mol
Exact Mass408.18
IUPAC Name(3-ethoxy-6-methyl-2-pyridinyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
SMILESCCOc1ccc(C)nc1C(=O)N1CCCC(Nc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C20H23F3N4O2/c1-3-29-16-8-6-13(2)25-18(16)19(28)27-10-4-5-15(12-27)26-17-9-7-14(11-24-17)20(21,22)23/h6-9,11,15H,3-5,10,12H2,1-2H3,(H,24,26)
InChIKeyJPGHOHKBOPXJDZ-UHFFFAOYSA-N
XLogP3.92
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-ethoxy-6-methyl-2-pyridinyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[2-methyl-6-(2-methylphenyl)phenyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 67178860
(2,3-dimethyl-6-phenylphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 67178862
[4-methyl-2-(triazol-2-yl)phenyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 134503161
(3-ethoxy-6-methyl-2-pyridinyl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 86270574
(2-ethoxyphenyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 86271215
methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 133273523
N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 24855588
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 129026004
[6-methyl-3-(triazol-1-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 86271864
[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
CID 134503246
(3R)-3-[[5-(3-ethoxy-2-fluoro-3-oxoprop-1-enyl)-2-pyridinyl]amino]piperidine-1-carboxylic acid
CID 68959142
N-(4-ethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 63540704

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-6-methyl-2-pyridinyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone?
The IUPAC name of (3-ethoxy-6-methyl-2-pyridinyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone (CID 134503175) is (3-ethoxy-6-methyl-2-pyridinyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethoxy-6-methyl-2-pyridinyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (3-ethoxy-6-methyl-2-pyridinyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone is CCOc1ccc(C)nc1C(=O)N1CCCC(Nc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of (3-ethoxy-6-methyl-2-pyridinyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone?
The InChIKey is JPGHOHKBOPXJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O2/c1-3-29-16-8-6-13(2)25-18(16)19(28)27-10-4-5-15(12-27)26-17-9-7-14(11-24-17)20(21,22)23/h6-9,11,15H,3-5,10,12H2,1-2H3,(H,24,26).
What are the key properties of (3-ethoxy-6-methyl-2-pyridinyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone?
(3-ethoxy-6-methyl-2-pyridinyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone has a molecular weight of 408.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-6-methyl-2-pyridinyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 134503175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).