methyl 2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]amino]benzoate

C20H20F3N3O5 — CID 3446701

IUPACmethyl 2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)N1CCOC(COc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C20H20F3N3O5/c1-29-18(27)15-4-2-3-5-16(15)25-19(28)26-8-9-30-14(11-26)12-31-17-7-6-13(10-24-17)20(21,22)23/h2-7,10,14H,8-9,11-12H2,1H3,(H,25,28)
InChIKeyCFNFPZPETXBJDL-UHFFFAOYSA-N
MW439.39 g/mol
LogP3.20
Rot. Bonds5

About methyl 2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]amino]benzoate

methyl 2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]amino]benzoate (PubChem CID 3446701) has the molecular formula C20H20F3N3O5 and a molecular weight of 439.39 g/mol. Its IUPAC name is methyl 2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]amino]benzoate
PubChem CID3446701
Molecular FormulaC20H20F3N3O5
Molecular Weight439.39 g/mol
Exact Mass439.14
IUPAC Namemethyl 2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)N1CCOC(COc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C20H20F3N3O5/c1-29-18(27)15-4-2-3-5-16(15)25-19(28)26-8-9-30-14(11-26)12-31-17-7-6-13(10-24-17)20(21,22)23/h2-7,10,14H,8-9,11-12H2,1H3,(H,25,28)
InChIKeyCFNFPZPETXBJDL-UHFFFAOYSA-N
XLogP3.20
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

2-(9H-fluoren-9-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone
CID 3770302
methyl 2-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbonyl]amino]benzoate
CID 3475985
2-(5-phenyltetrazol-2-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone
CID 3736388
N-[5-chloro-2-[3-oxo-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]prop-1-enyl]phenyl]acetamide
CID 4996190
N-(2-methoxyphenyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122247691
2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61203216
1-methyl-5-pyridin-3-yl-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]pyrrolidin-2-one
CID 4987889
(2S)-2-ethyl-N-(6-methoxy-3-pyridinyl)morpholine-4-carboxamide
CID 97097741
4-[(3-methylthiophen-2-yl)methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine
CID 74227912
N-(2-fluorophenyl)-2-(hydroxymethyl)morpholine-4-carboxamide
CID 79831251
methyl 5-[[4-[[2-(trifluoromethoxy)phenyl]carbamothioyl]morpholin-2-yl]methoxy]pyridine-3-carboxylate
CID 3375913
methyl 2-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]benzoate
CID 118674807

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]amino]benzoate (CID 3446701) is methyl 2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)N1CCOC(COc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of methyl 2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]amino]benzoate?
The InChIKey is CFNFPZPETXBJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O5/c1-29-18(27)15-4-2-3-5-16(15)25-19(28)26-8-9-30-14(11-26)12-31-17-7-6-13(10-24-17)20(21,22)23/h2-7,10,14H,8-9,11-12H2,1H3,(H,25,28).
What are the key properties of methyl 2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]amino]benzoate?
methyl 2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]amino]benzoate has a molecular weight of 439.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 3446701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).