N-[(1R)-1-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

C22H20F3N3O3 — CID 67289090

IUPACN-[(1R)-1-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESC[C@@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(OCc2ccccn2)cn1
InChIInChI=1S/C22H20F3N3O3/c1-15(20-10-9-19(12-27-20)30-13-17-4-2-3-11-26-17)28-21(29)14-31-18-7-5-16(6-8-18)22(23,24)25/h2-12,15H,13-14H2,1H3,(H,28,29)/t15-/m1/s1
InChIKeyFIVCWXFDAMUESZ-OAHLLOKOSA-N
MW431.41 g/mol
LogP4.33
Rot. Bonds8

About N-[(1R)-1-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

N-[(1R)-1-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 67289090) has the molecular formula C22H20F3N3O3 and a molecular weight of 431.41 g/mol. Its IUPAC name is N-[(1R)-1-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID67289090
Molecular FormulaC22H20F3N3O3
Molecular Weight431.41 g/mol
Exact Mass431.15
IUPAC NameN-[(1R)-1-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESC[C@@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(OCc2ccccn2)cn1
InChIInChI=1S/C22H20F3N3O3/c1-15(20-10-9-19(12-27-20)30-13-17-4-2-3-11-26-17)28-21(29)14-31-18-7-5-16(6-8-18)22(23,24)25/h2-12,15H,13-14H2,1H3,(H,28,29)/t15-/m1/s1
InChIKeyFIVCWXFDAMUESZ-OAHLLOKOSA-N
XLogP4.33
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[(1R)-1-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 67289090) is N-[(1R)-1-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[(1R)-1-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[(1R)-1-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide is C[C@@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(OCc2ccccn2)cn1.
What is the InChIKey of N-[(1R)-1-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is FIVCWXFDAMUESZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H20F3N3O3/c1-15(20-10-9-19(12-27-20)30-13-17-4-2-3-11-26-17)28-21(29)14-31-18-7-5-16(6-8-18)22(23,24)25/h2-12,15H,13-14H2,1H3,(H,28,29)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-[(1R)-1-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 431.41 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 67289090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).