5-(morpholin-4-ylmethyl)-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine

C22H21F3N4O2 — CID 46834648

IUPAC5-(morpholin-4-ylmethyl)-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
SMILESFC(F)(F)c1cccnc1Oc1ccc(Nc2ccc(CN3CCOCC3)cn2)cc1
InChIInChI=1S/C22H21F3N4O2/c23-22(24,25)19-2-1-9-26-21(19)31-18-6-4-17(5-7-18)28-20-8-3-16(14-27-20)15-29-10-12-30-13-11-29/h1-9,14H,10-13,15H2,(H,27,28)
InChIKeyJAACSJZZEXDPMW-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.86
Rot. Bonds6

About 5-(morpholin-4-ylmethyl)-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine

5-(morpholin-4-ylmethyl)-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine (PubChem CID 46834648) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is 5-(morpholin-4-ylmethyl)-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(morpholin-4-ylmethyl)-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
PubChem CID46834648
Molecular FormulaC22H21F3N4O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC Name5-(morpholin-4-ylmethyl)-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
SMILESFC(F)(F)c1cccnc1Oc1ccc(Nc2ccc(CN3CCOCC3)cn2)cc1
InChIInChI=1S/C22H21F3N4O2/c23-22(24,25)19-2-1-9-26-21(19)31-18-6-4-17(5-7-18)28-20-8-3-16(14-27-20)15-29-10-12-30-13-11-29/h1-9,14H,10-13,15H2,(H,27,28)
InChIKeyJAACSJZZEXDPMW-UHFFFAOYSA-N
XLogP4.86
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(morpholin-4-ylmethyl)-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The IUPAC name of 5-(morpholin-4-ylmethyl)-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine (CID 46834648) is 5-(morpholin-4-ylmethyl)-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine.
What is the SMILES notation for 5-(morpholin-4-ylmethyl)-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The canonical SMILES for 5-(morpholin-4-ylmethyl)-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine is FC(F)(F)c1cccnc1Oc1ccc(Nc2ccc(CN3CCOCC3)cn2)cc1.
What is the InChIKey of 5-(morpholin-4-ylmethyl)-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The InChIKey is JAACSJZZEXDPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c23-22(24,25)19-2-1-9-26-21(19)31-18-6-4-17(5-7-18)28-20-8-3-16(14-27-20)15-29-10-12-30-13-11-29/h1-9,14H,10-13,15H2,(H,27,28).
What are the key properties of 5-(morpholin-4-ylmethyl)-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
5-(morpholin-4-ylmethyl)-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine has a molecular weight of 430.43 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholin-4-ylmethyl)-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine is sourced from PubChem (CID 46834648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).