morpholin-4-yl-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methanone

C18H18F3N3O2 — CID 33383192

IUPACmorpholin-4-yl-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methanone
SMILESO=C(c1ccc(CNc2ccc(C(F)(F)F)cn2)cc1)N1CCOCC1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)15-5-6-16(23-12-15)22-11-13-1-3-14(4-2-13)17(25)24-7-9-26-10-8-24/h1-6,12H,7-11H2,(H,22,23)
InChIKeyBAUBOFPCCRVACA-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.18
Rot. Bonds4

About morpholin-4-yl-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methanone

morpholin-4-yl-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methanone (PubChem CID 33383192) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is morpholin-4-yl-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methanone
PubChem CID33383192
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Namemorpholin-4-yl-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methanone
SMILESO=C(c1ccc(CNc2ccc(C(F)(F)F)cn2)cc1)N1CCOCC1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)15-5-6-16(23-12-15)22-11-13-1-3-14(4-2-13)17(25)24-7-9-26-10-8-24/h1-6,12H,7-11H2,(H,22,23)
InChIKeyBAUBOFPCCRVACA-UHFFFAOYSA-N
XLogP3.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 29047903
[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-morpholin-4-ylmethanone
CID 110006533
1-(2-methyl-2-morpholin-4-ylpropyl)-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]urea
CID 86931397
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113073703
N-(5-morpholin-4-yl-2-pyridinyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55549138
morpholin-4-yl-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 32651661
[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109156918
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanone
CID 124730185
[6-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 134707137
[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone
CID 58674996
N-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-amine
CID 78908037
N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113010875

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methanone?
The IUPAC name of morpholin-4-yl-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methanone (CID 33383192) is morpholin-4-yl-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methanone is O=C(c1ccc(CNc2ccc(C(F)(F)F)cn2)cc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methanone?
The InChIKey is BAUBOFPCCRVACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-18(20,21)15-5-6-16(23-12-15)22-11-13-1-3-14(4-2-13)17(25)24-7-9-26-10-8-24/h1-6,12H,7-11H2,(H,22,23).
What are the key properties of morpholin-4-yl-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methanone?
morpholin-4-yl-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methanone has a molecular weight of 365.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methanone is sourced from PubChem (CID 33383192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).