5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-(2-methylsulfonylethyl)pyridine-3-carboxamide

C16H17F3N4O4S — CID 122516893

IUPAC5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1cncc(Oc2cc(CN)cc(C(F)(F)F)n2)c1
InChIInChI=1S/C16H17F3N4O4S/c1-28(25,26)3-2-22-15(24)11-6-12(9-21-8-11)27-14-5-10(7-20)4-13(23-14)16(17,18)19/h4-6,8-9H,2-3,7,20H2,1H3,(H,22,24)
InChIKeyZFYXJIYPIORSQE-UHFFFAOYSA-N
MW418.40 g/mol
LogP1.52
Rot. Bonds7

About 5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-(2-methylsulfonylethyl)pyridine-3-carboxamide

5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-(2-methylsulfonylethyl)pyridine-3-carboxamide (PubChem CID 122516893) has the molecular formula C16H17F3N4O4S and a molecular weight of 418.40 g/mol. Its IUPAC name is 5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-(2-methylsulfonylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
PubChem CID122516893
Molecular FormulaC16H17F3N4O4S
Molecular Weight418.40 g/mol
Exact Mass418.09
IUPAC Name5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1cncc(Oc2cc(CN)cc(C(F)(F)F)n2)c1
InChIInChI=1S/C16H17F3N4O4S/c1-28(25,26)3-2-22-15(24)11-6-12(9-21-8-11)27-14-5-10(7-20)4-13(23-14)16(17,18)19/h4-6,8-9H,2-3,7,20H2,1H3,(H,22,24)
InChIKeyZFYXJIYPIORSQE-UHFFFAOYSA-N
XLogP1.52
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-(2-methylsulfonylethyl)pyridine-3-carboxamide 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

US10335401, No. I-57
CID 139313558
US11072585, Example 23
CID 122516832
US11072585, Example 46
CID 122516985
US11072585, Example 38
CID 122517044
US11072585, Example 47
CID 122536287
[5-[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxypyridin-3-yl]-[(3R)-3-aminopyrrolidin-1-yl]methanone;dihydrochloride
CID 132253034
5-[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxy-N-(2-methylsulfonylethyl)pyridine-3-carboxamide;hydrochloride
CID 132253064
[5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone;hydrochloride
CID 132253124
US10335401, No. I-12
CID 139313624
US10335401, No. I-103
CID 139313756
US10335401, No. I-105
CID 139313763
US10335401, No. I-114
CID 139313765

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-(2-methylsulfonylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-(2-methylsulfonylethyl)pyridine-3-carboxamide (CID 122516893) is 5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-(2-methylsulfonylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-(2-methylsulfonylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-(2-methylsulfonylethyl)pyridine-3-carboxamide is CS(=O)(=O)CCNC(=O)c1cncc(Oc2cc(CN)cc(C(F)(F)F)n2)c1.
What is the InChIKey of 5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-(2-methylsulfonylethyl)pyridine-3-carboxamide?
The InChIKey is ZFYXJIYPIORSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O4S/c1-28(25,26)3-2-22-15(24)11-6-12(9-21-8-11)27-14-5-10(7-20)4-13(23-14)16(17,18)19/h4-6,8-9H,2-3,7,20H2,1H3,(H,22,24).
What are the key properties of 5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-(2-methylsulfonylethyl)pyridine-3-carboxamide?
5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-(2-methylsulfonylethyl)pyridine-3-carboxamide has a molecular weight of 418.40 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-(2-methylsulfonylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 122516893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).