N-(4,6-dimethyl-2-pyridinyl)-2-(pyridin-2-yloxymethyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid

C20H23F3N4O5 — CID 69075189

IUPACN-(4,6-dimethyl-2-pyridinyl)-2-(pyridin-2-yloxymethyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(C)nc(NC(=O)N2CCOC(COc3ccccn3)C2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H22N4O3.C2HF3O2/c1-13-9-14(2)20-16(10-13)21-18(23)22-7-8-24-15(11-22)12-25-17-5-3-4-6-19-17;3-2(4,5)1(6)7/h3-6,9-10,15H,7-8,11-12H2,1-2H3,(H,20,21,23);(H,6,7)
InChIKeyMRUXSKIFJAZBAE-UHFFFAOYSA-N
MW456.42 g/mol
LogP3.04
Rot. Bonds4

About N-(4,6-dimethyl-2-pyridinyl)-2-(pyridin-2-yloxymethyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid

N-(4,6-dimethyl-2-pyridinyl)-2-(pyridin-2-yloxymethyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 69075189) has the molecular formula C20H23F3N4O5 and a molecular weight of 456.42 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-2-(pyridin-2-yloxymethyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-2-(pyridin-2-yloxymethyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID69075189
Molecular FormulaC20H23F3N4O5
Molecular Weight456.42 g/mol
Exact Mass456.16
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-2-(pyridin-2-yloxymethyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(C)nc(NC(=O)N2CCOC(COc3ccccn3)C2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H22N4O3.C2HF3O2/c1-13-9-14(2)20-16(10-13)21-18(23)22-7-8-24-15(11-22)12-25-17-5-3-4-6-19-17;3-2(4,5)1(6)7/h3-6,9-10,15H,7-8,11-12H2,1-2H3,(H,20,21,23);(H,6,7)
InChIKeyMRUXSKIFJAZBAE-UHFFFAOYSA-N
XLogP3.04
TPSA113.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-2-(pyridin-2-yloxymethyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-2-(pyridin-2-yloxymethyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 69075189) is N-(4,6-dimethyl-2-pyridinyl)-2-(pyridin-2-yloxymethyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-2-(pyridin-2-yloxymethyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-2-(pyridin-2-yloxymethyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid is Cc1cc(C)nc(NC(=O)N2CCOC(COc3ccccn3)C2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-2-(pyridin-2-yloxymethyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is MRUXSKIFJAZBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3.C2HF3O2/c1-13-9-14(2)20-16(10-13)21-18(23)22-7-8-24-15(11-22)12-25-17-5-3-4-6-19-17;3-2(4,5)1(6)7/h3-6,9-10,15H,7-8,11-12H2,1-2H3,(H,20,21,23);(H,6,7).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-2-(pyridin-2-yloxymethyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid?
N-(4,6-dimethyl-2-pyridinyl)-2-(pyridin-2-yloxymethyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 456.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-2-(pyridin-2-yloxymethyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69075189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).