N-(4,6-dimethyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide

C20H22F3N3O3 — CID 24899480

IUPACN-(4,6-dimethyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide
SMILESCc1cc(C)nc(NC(=O)N2CCOC(COc3ccccc3C(F)(F)F)C2)c1
InChIInChI=1S/C20H22F3N3O3/c1-13-9-14(2)24-18(10-13)25-19(27)26-7-8-28-15(11-26)12-29-17-6-4-3-5-16(17)20(21,22)23/h3-6,9-10,15H,7-8,11-12H2,1-2H3,(H,24,25,27)
InChIKeyRLTROMVQHBCUNY-UHFFFAOYSA-N
MW409.41 g/mol
LogP4.03
Rot. Bonds4

About N-(4,6-dimethyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide

N-(4,6-dimethyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide (PubChem CID 24899480) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide
PubChem CID24899480
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide
SMILESCc1cc(C)nc(NC(=O)N2CCOC(COc3ccccc3C(F)(F)F)C2)c1
InChIInChI=1S/C20H22F3N3O3/c1-13-9-14(2)24-18(10-13)25-19(27)26-7-8-28-15(11-26)12-29-17-6-4-3-5-16(17)20(21,22)23/h3-6,9-10,15H,7-8,11-12H2,1-2H3,(H,24,25,27)
InChIKeyRLTROMVQHBCUNY-UHFFFAOYSA-N
XLogP4.03
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide (CID 24899480) is N-(4,6-dimethyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide is Cc1cc(C)nc(NC(=O)N2CCOC(COc3ccccc3C(F)(F)F)C2)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide?
The InChIKey is RLTROMVQHBCUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c1-13-9-14(2)24-18(10-13)25-19(27)26-7-8-28-15(11-26)12-29-17-6-4-3-5-16(17)20(21,22)23/h3-6,9-10,15H,7-8,11-12H2,1-2H3,(H,24,25,27).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide?
N-(4,6-dimethyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide has a molecular weight of 409.41 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 24899480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).