2-[2-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one

C18H20F3N5O2 — CID 154831210

IUPAC2-[2-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCN(c1ncccc1C(F)(F)F)C1CCCN(C(=O)Cn2ncccc2=O)C1
InChIInChI=1S/C18H20F3N5O2/c1-24(17-14(18(19,20)21)6-2-8-22-17)13-5-4-10-25(11-13)16(28)12-26-15(27)7-3-9-23-26/h2-3,6-9,13H,4-5,10-12H2,1H3
InChIKeyWGSHUNSXYKEYOW-UHFFFAOYSA-N
MW395.39 g/mol
LogP1.78
Rot. Bonds4

About 2-[2-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one

2-[2-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 154831210) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is 2-[2-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
PubChem CID154831210
Molecular FormulaC18H20F3N5O2
Molecular Weight395.39 g/mol
Exact Mass395.16
IUPAC Name2-[2-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCN(c1ncccc1C(F)(F)F)C1CCCN(C(=O)Cn2ncccc2=O)C1
InChIInChI=1S/C18H20F3N5O2/c1-24(17-14(18(19,20)21)6-2-8-22-17)13-5-4-10-25(11-13)16(28)12-26-15(27)7-3-9-23-26/h2-3,6-9,13H,4-5,10-12H2,1H3
InChIKeyWGSHUNSXYKEYOW-UHFFFAOYSA-N
XLogP1.78
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one with MolForge

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Related Compounds

1-methyl-3-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carbonyl]pyridin-2-one
CID 154883990
3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide
CID 154884095
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]propan-1-one
CID 154831265
[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 154883988
2-[2-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 91628278
2-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]pyridazin-3-one
CID 126851060
2-[2-oxo-2-(3-phenylazepan-1-yl)ethyl]pyridazin-3-one
CID 121146184
1-[2-(6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 55126730
N-methyl-N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine;dihydrochloride
CID 146077841
2-[2-oxo-2-[(3S)-3-pyridin-4-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one
CID 124892826
2-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 124760925
N-(azetidin-3-yl)-N-methyl-3-(trifluoromethyl)pyridin-2-amine
CID 66181620

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one (CID 154831210) is 2-[2-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one is CN(c1ncccc1C(F)(F)F)C1CCCN(C(=O)Cn2ncccc2=O)C1.
What is the InChIKey of 2-[2-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is WGSHUNSXYKEYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O2/c1-24(17-14(18(19,20)21)6-2-8-22-17)13-5-4-10-25(11-13)16(28)12-26-15(27)7-3-9-23-26/h2-3,6-9,13H,4-5,10-12H2,1H3.
What are the key properties of 2-[2-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
2-[2-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 395.39 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 154831210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).