morpholin-4-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone

C17H16F3N3O2 — CID 109184685

IUPACmorpholin-4-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
SMILESO=C(c1ccc(Nc2cccc(C(F)(F)F)c2)cn1)N1CCOCC1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)12-2-1-3-13(10-12)22-14-4-5-15(21-11-14)16(24)23-6-8-25-9-7-23/h1-5,10-11,22H,6-9H2
InChIKeyREPLNIMEUWJARC-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.32
Rot. Bonds3

About morpholin-4-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone

morpholin-4-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone (PubChem CID 109184685) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is morpholin-4-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
PubChem CID109184685
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Namemorpholin-4-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
SMILESO=C(c1ccc(Nc2cccc(C(F)(F)F)c2)cn1)N1CCOCC1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)12-2-1-3-13(10-12)22-14-4-5-15(21-11-14)16(24)23-6-8-25-9-7-23/h1-5,10-11,22H,6-9H2
InChIKeyREPLNIMEUWJARC-UHFFFAOYSA-N
XLogP3.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
CID 109182660
[5-(3-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184706
[5-(4-bromoanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184671
[5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184666
pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone
CID 109273635
[5-(2-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184658
5-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109200292
(4-methylpiperidin-1-yl)-[4-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
CID 109205195
(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109181859
morpholin-4-yl-[5-(2-phenylethylamino)-2-pyridinyl]methanone
CID 109184585
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833392
[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184630

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone?
The IUPAC name of morpholin-4-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone (CID 109184685) is morpholin-4-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone.
What is the SMILES notation for morpholin-4-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone?
The canonical SMILES for morpholin-4-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone is O=C(c1ccc(Nc2cccc(C(F)(F)F)c2)cn1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone?
The InChIKey is REPLNIMEUWJARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c18-17(19,20)12-2-1-3-13(10-12)22-14-4-5-15(21-11-14)16(24)23-6-8-25-9-7-23/h1-5,10-11,22H,6-9H2.
What are the key properties of morpholin-4-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone?
morpholin-4-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone has a molecular weight of 351.33 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone is sourced from PubChem (CID 109184685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).