2-morpholin-4-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide

C18H25BF3N3O4 — CID 152525265

IUPAC2-morpholin-4-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCC1(C)OB(c2cnc(NC(=O)CN3CCOCC3)cc2C(F)(F)F)OC1(C)C
InChIInChI=1S/C18H25BF3N3O4/c1-16(2)17(3,4)29-19(28-16)13-10-23-14(9-12(13)18(20,21)22)24-15(26)11-25-5-7-27-8-6-25/h9-10H,5-8,11H2,1-4H3,(H,23,24,26)
InChIKeyYIJMVMIXSFOGMR-UHFFFAOYSA-N
MW415.22 g/mol
LogP1.67
Rot. Bonds4

About 2-morpholin-4-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide

2-morpholin-4-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 152525265) has the molecular formula C18H25BF3N3O4 and a molecular weight of 415.22 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID152525265
Molecular FormulaC18H25BF3N3O4
Molecular Weight415.22 g/mol
Exact Mass415.19
IUPAC Name2-morpholin-4-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCC1(C)OB(c2cnc(NC(=O)CN3CCOCC3)cc2C(F)(F)F)OC1(C)C
InChIInChI=1S/C18H25BF3N3O4/c1-16(2)17(3,4)29-19(28-16)13-10-23-14(9-12(13)18(20,21)22)24-15(26)11-25-5-7-27-8-6-25/h9-10H,5-8,11H2,1-4H3,(H,23,24,26)
InChIKeyYIJMVMIXSFOGMR-UHFFFAOYSA-N
XLogP1.67
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(E)-4-morpholin-4-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]but-2-enamide
CID 155703049
N-[2,6-dimethyl-4-(trifluoromethyl)-3-pyridinyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 23110958
2-morpholin-4-yl-N-(6-pyridazin-4-ylisoquinolin-3-yl)acetamide
CID 138586327
3-[6-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]prop-2-enoic acid
CID 123951994
N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
CID 76850024
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)phenyl]acetamide
CID 171393278
2-morpholin-4-yl-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 18873860
N-(3,5-dibromo-2-pyridinyl)-2-morpholin-4-ylacetamide
CID 661163
N-(2-tert-butyl-4-pyridinyl)-2-morpholin-4-ylacetamide
CID 110444182
N-[2-(5-methyl-3-pyridinyl)-1,6-naphthyridin-7-yl]-2-morpholin-4-ylacetamide
CID 138588302
N-[6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]isoquinolin-3-yl]-2-morpholin-4-ylacetamide
CID 166702399
2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3090863

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide (CID 152525265) is 2-morpholin-4-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide is CC1(C)OB(c2cnc(NC(=O)CN3CCOCC3)cc2C(F)(F)F)OC1(C)C.
What is the InChIKey of 2-morpholin-4-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is YIJMVMIXSFOGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BF3N3O4/c1-16(2)17(3,4)29-19(28-16)13-10-23-14(9-12(13)18(20,21)22)24-15(26)11-25-5-7-27-8-6-25/h9-10H,5-8,11H2,1-4H3,(H,23,24,26).
What are the key properties of 2-morpholin-4-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide?
2-morpholin-4-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 415.22 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 152525265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).