3-morpholin-4-yl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide

C20H22F3N3O3 — CID 25289476

IUPAC3-morpholin-4-yl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
SMILESO=C(CCN1CCOCC1)NCc1cccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H22F3N3O3/c21-20(22,23)16-4-1-5-17(13-16)29-19-15(3-2-7-24-19)14-25-18(27)6-8-26-9-11-28-12-10-26/h1-5,7,13H,6,8-12,14H2,(H,25,27)
InChIKeySDPFQXUZPLYJBE-UHFFFAOYSA-N
MW409.41 g/mol
LogP3.23
Rot. Bonds7

About 3-morpholin-4-yl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide

3-morpholin-4-yl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide (PubChem CID 25289476) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
PubChem CID25289476
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC Name3-morpholin-4-yl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
SMILESO=C(CCN1CCOCC1)NCc1cccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H22F3N3O3/c21-20(22,23)16-4-1-5-17(13-16)29-19-15(3-2-7-24-19)14-25-18(27)6-8-26-9-11-28-12-10-26/h1-5,7,13H,6,8-12,14H2,(H,25,27)
InChIKeySDPFQXUZPLYJBE-UHFFFAOYSA-N
XLogP3.23
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-morpholin-4-yl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide with MolForge

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Related Compounds

3-(1H-pyrazol-4-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 42519424
3-amino-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 56738760
(2S)-2-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 95227912
3-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 56758347
(2S)-3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 95211503
3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 56752710
1-cyano-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 56748506
2-amino-2,3-dimethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 56741357
1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 47051100
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 55659774
(2S,4R)-4-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 56751667
N-(pyridin-2-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine
CID 42595092

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide?
The IUPAC name of 3-morpholin-4-yl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide (CID 25289476) is 3-morpholin-4-yl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-morpholin-4-yl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-morpholin-4-yl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide is O=C(CCN1CCOCC1)NCc1cccnc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-morpholin-4-yl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide?
The InChIKey is SDPFQXUZPLYJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c21-20(22,23)16-4-1-5-17(13-16)29-19-15(3-2-7-24-19)14-25-18(27)6-8-26-9-11-28-12-10-26/h1-5,7,13H,6,8-12,14H2,(H,25,27).
What are the key properties of 3-morpholin-4-yl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide?
3-morpholin-4-yl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide has a molecular weight of 409.41 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 25289476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).