4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide

C20H17F3N6O3 — CID 78322803

IUPAC4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide
SMILESNC(=O)c1nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H17F3N6O3/c21-20(22,23)13-3-6-15(25-11-13)32-14-4-1-12(2-5-14)17-26-18(16(24)30)28-19(27-17)29-7-9-31-10-8-29/h1-6,11H,7-10H2,(H2,24,30)
InChIKeyPOQCHELXDCZAJO-UHFFFAOYSA-N
MW446.39 g/mol
LogP2.68
Rot. Bonds5

About 4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide

4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide (PubChem CID 78322803) has the molecular formula C20H17F3N6O3 and a molecular weight of 446.39 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide
PubChem CID78322803
Molecular FormulaC20H17F3N6O3
Molecular Weight446.39 g/mol
Exact Mass446.13
IUPAC Name4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide
SMILESNC(=O)c1nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H17F3N6O3/c21-20(22,23)13-3-6-15(25-11-13)32-14-4-1-12(2-5-14)17-26-18(16(24)30)28-19(27-17)29-7-9-31-10-8-29/h1-6,11H,7-10H2,(H2,24,30)
InChIKeyPOQCHELXDCZAJO-UHFFFAOYSA-N
XLogP2.68
TPSA116.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide (CID 78322803) is 4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide is NC(=O)c1nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide?
The InChIKey is POQCHELXDCZAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O3/c21-20(22,23)13-3-6-15(25-11-13)32-14-4-1-12(2-5-14)17-26-18(16(24)30)28-19(27-17)29-7-9-31-10-8-29/h1-6,11H,7-10H2,(H2,24,30).
What are the key properties of 4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide?
4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide has a molecular weight of 446.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 78322803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).