N-[2-(4-methoxyphenyl)ethyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide

C19H20F3N3O3 — CID 122251081

IUPACN-[2-(4-methoxyphenyl)ethyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CC(Oc3ncccc3C(F)(F)F)C2)cc1
InChIInChI=1S/C19H20F3N3O3/c1-27-14-6-4-13(5-7-14)8-10-24-18(26)25-11-15(12-25)28-17-16(19(20,21)22)3-2-9-23-17/h2-7,9,15H,8,10-12H2,1H3,(H,24,26)
InChIKeyPRBXDBDTZYEITE-UHFFFAOYSA-N
MW395.38 g/mol
LogP3.12
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide (PubChem CID 122251081) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
PubChem CID122251081
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CC(Oc3ncccc3C(F)(F)F)C2)cc1
InChIInChI=1S/C19H20F3N3O3/c1-27-14-6-4-13(5-7-14)8-10-24-18(26)25-11-15(12-25)28-17-16(19(20,21)22)3-2-9-23-17/h2-7,9,15H,8,10-12H2,1H3,(H,24,26)
InChIKeyPRBXDBDTZYEITE-UHFFFAOYSA-N
XLogP3.12
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-methoxyphenyl)ethyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide with MolForge

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Related Compounds

3-[(3-bromo-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide
CID 122250099
N-[2-oxo-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethyl]acetamide
CID 122250991
N-(4-tert-butylphenyl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122251071
(3R)-3-(3-cyanopyrazin-2-yl)oxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 100652570
N-thiophen-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122251065
3-chloro-1-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one
CID 122250784
2-propyl-1-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]pentan-1-one
CID 122250768
3-methyl-1-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]but-2-en-1-one
CID 122250982
(1S,5R)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide
CID 124887194
(3,4-dimethylphenyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122250793
cyclopentyl-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122250770
N-[2-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)morpholine-4-carboxamide
CID 56878321

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide (CID 122251081) is N-[2-(4-methoxyphenyl)ethyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide is COc1ccc(CCNC(=O)N2CC(Oc3ncccc3C(F)(F)F)C2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide?
The InChIKey is PRBXDBDTZYEITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-27-14-6-4-13(5-7-14)8-10-24-18(26)25-11-15(12-25)28-17-16(19(20,21)22)3-2-9-23-17/h2-7,9,15H,8,10-12H2,1H3,(H,24,26).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide has a molecular weight of 395.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide is sourced from PubChem (CID 122251081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).