2-[(2,5-difluorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid

C21H22F5N3O5 — CID 69075486

IUPAC2-[(2,5-difluorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(C)nc(NC(=O)N2CCOC(COc3cc(F)ccc3F)C2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H21F2N3O3.C2HF3O2/c1-12-7-13(2)22-18(8-12)23-19(25)24-5-6-26-15(10-24)11-27-17-9-14(20)3-4-16(17)21;3-2(4,5)1(6)7/h3-4,7-9,15H,5-6,10-11H2,1-2H3,(H,22,23,25);(H,6,7)
InChIKeyUPSOQMHHDTYVDP-UHFFFAOYSA-N
MW491.41 g/mol
LogP3.92
Rot. Bonds4

About 2-[(2,5-difluorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid

2-[(2,5-difluorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 69075486) has the molecular formula C21H22F5N3O5 and a molecular weight of 491.41 g/mol. Its IUPAC name is 2-[(2,5-difluorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[(2,5-difluorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID69075486
Molecular FormulaC21H22F5N3O5
Molecular Weight491.41 g/mol
Exact Mass491.15
IUPAC Name2-[(2,5-difluorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(C)nc(NC(=O)N2CCOC(COc3cc(F)ccc3F)C2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H21F2N3O3.C2HF3O2/c1-12-7-13(2)22-18(8-12)23-19(25)24-5-6-26-15(10-24)11-27-17-9-14(20)3-4-16(17)21;3-2(4,5)1(6)7/h3-4,7-9,15H,5-6,10-11H2,1-2H3,(H,22,23,25);(H,6,7)
InChIKeyUPSOQMHHDTYVDP-UHFFFAOYSA-N
XLogP3.92
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.41
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2,5-difluorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[(2,5-difluorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 69075486) is 2-[(2,5-difluorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[(2,5-difluorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[(2,5-difluorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid is Cc1cc(C)nc(NC(=O)N2CCOC(COc3cc(F)ccc3F)C2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[(2,5-difluorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is UPSOQMHHDTYVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3.C2HF3O2/c1-12-7-13(2)22-18(8-12)23-19(25)24-5-6-26-15(10-24)11-27-17-9-14(20)3-4-16(17)21;3-2(4,5)1(6)7/h3-4,7-9,15H,5-6,10-11H2,1-2H3,(H,22,23,25);(H,6,7).
What are the key properties of 2-[(2,5-difluorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid?
2-[(2,5-difluorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 491.41 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69075486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).