(3S)-1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-3-carboxamide

C22H19F3N4O3 — CID 118273564

IUPAC(3S)-1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)C1
InChIInChI=1S/C22H19F3N4O3/c23-22(24,25)15-4-8-19(27-11-15)32-16-5-7-17-13(10-16)3-6-18(28-17)21(31)29-9-1-2-14(12-29)20(26)30/h3-8,10-11,14H,1-2,9,12H2,(H2,26,30)/t14-/m0/s1
InChIKeyUOYUEQHEQQLTQS-AWEZNQCLSA-N
MW444.41 g/mol
LogP3.78
Rot. Bonds4

About (3S)-1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-3-carboxamide

(3S)-1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-3-carboxamide (PubChem CID 118273564) has the molecular formula C22H19F3N4O3 and a molecular weight of 444.41 g/mol. Its IUPAC name is (3S)-1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-3-carboxamide
PubChem CID118273564
Molecular FormulaC22H19F3N4O3
Molecular Weight444.41 g/mol
Exact Mass444.14
IUPAC Name(3S)-1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)C1
InChIInChI=1S/C22H19F3N4O3/c23-22(24,25)15-4-8-19(27-11-15)32-16-5-7-17-13(10-16)3-6-18(28-17)21(31)29-9-1-2-14(12-29)20(26)30/h3-8,10-11,14H,1-2,9,12H2,(H2,26,30)/t14-/m0/s1
InChIKeyUOYUEQHEQQLTQS-AWEZNQCLSA-N
XLogP3.78
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-3-carboxamide with MolForge

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Related Compounds

pyrrolidine;pyrrolidin-1-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 159673625
[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273405
(4-piperidin-1-ylsulfonylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118274014
(4-methylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273889
(2S)-2-methyl-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperazine-1-carboxylic acid
CID 118273456
[(3aR,4S,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273860
(6-fluoro-1,4-diazepan-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273380
(3-hydroxy-4-methoxypyrrolidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273812
[(3R)-3-ethylpiperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273992
(4-hydroxy-4-methylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273886
(4-phenylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273506
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273508

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-3-carboxamide (CID 118273564) is (3S)-1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)C1.
What is the InChIKey of (3S)-1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-3-carboxamide?
The InChIKey is UOYUEQHEQQLTQS-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H19F3N4O3/c23-22(24,25)15-4-8-19(27-11-15)32-16-5-7-17-13(10-16)3-6-18(28-17)21(31)29-9-1-2-14(12-29)20(26)30/h3-8,10-11,14H,1-2,9,12H2,(H2,26,30)/t14-/m0/s1.
What are the key properties of (3S)-1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-3-carboxamide?
(3S)-1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-3-carboxamide has a molecular weight of 444.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 118273564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).