N-ethyl-N'-[5-fluoro-2-methyl-4-(3-pyridin-2-yloxyoxetan-3-yl)phenyl]-N-methylmethanimidamide

C19H22FN3O2 — CID 167445165

IUPACN-ethyl-N'-[5-fluoro-2-methyl-4-(3-pyridin-2-yloxyoxetan-3-yl)phenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(F)c(C2(Oc3ccccn3)COC2)cc1C
InChIInChI=1S/C19H22FN3O2/c1-4-23(3)13-22-17-10-16(20)15(9-14(17)2)19(11-24-12-19)25-18-7-5-6-8-21-18/h5-10,13H,4,11-12H2,1-3H3/b22-13+
InChIKeyPXIVAPBJGIBCKT-LPYMAVHISA-N
MW343.40 g/mol
LogP3.45
Rot. Bonds6

About N-ethyl-N'-[5-fluoro-2-methyl-4-(3-pyridin-2-yloxyoxetan-3-yl)phenyl]-N-methylmethanimidamide

N-ethyl-N'-[5-fluoro-2-methyl-4-(3-pyridin-2-yloxyoxetan-3-yl)phenyl]-N-methylmethanimidamide (PubChem CID 167445165) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-ethyl-N'-[5-fluoro-2-methyl-4-(3-pyridin-2-yloxyoxetan-3-yl)phenyl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-[5-fluoro-2-methyl-4-(3-pyridin-2-yloxyoxetan-3-yl)phenyl]-N-methylmethanimidamide
PubChem CID167445165
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-ethyl-N'-[5-fluoro-2-methyl-4-(3-pyridin-2-yloxyoxetan-3-yl)phenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(F)c(C2(Oc3ccccn3)COC2)cc1C
InChIInChI=1S/C19H22FN3O2/c1-4-23(3)13-22-17-10-16(20)15(9-14(17)2)19(11-24-12-19)25-18-7-5-6-8-21-18/h5-10,13H,4,11-12H2,1-3H3/b22-13+
InChIKeyPXIVAPBJGIBCKT-LPYMAVHISA-N
XLogP3.45
TPSA46.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Florbetapir F-18
CID 24822371
4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyridin-3-yl]ethenyl]-N-methylaniline
CID 57396865
(e)-(5-Iodo-6-{2-[2-(2-fluoroethoxy)ethoxy]ethoxy}pyridin-3-yl)-2-(4-dimethylaminophenyl)-ethylene
CID 16221507
4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-5-(125I)iodo-3-pyridinyl]ethenyl]-N,N-dimethyl(125I)aniline
CID 16221510
4-[(Z)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline
CID 168300462
4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline
CID 73202298
4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline
CID 74325379
D3-Florbetapir F-18
CID 162623619
4-[2-[6-[2-[2-(2-fluoranylethoxy)ethoxy]ethoxy]pyridin-3-yl]ethyl]-~{N}-methyl-aniline
CID 171916811
(E)-2-(2-(2-(2-[18F]Fluoroethoxy)ethoxy)ethoxy)-5-(4-dimethylaminostyryl)-pyridine
CID 15945841
2-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylethanamine
CID 126469451
N,N-dimethyl-3-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]propan-1-amine
CID 126469967

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[5-fluoro-2-methyl-4-(3-pyridin-2-yloxyoxetan-3-yl)phenyl]-N-methylmethanimidamide?
The IUPAC name of N-ethyl-N'-[5-fluoro-2-methyl-4-(3-pyridin-2-yloxyoxetan-3-yl)phenyl]-N-methylmethanimidamide (CID 167445165) is N-ethyl-N'-[5-fluoro-2-methyl-4-(3-pyridin-2-yloxyoxetan-3-yl)phenyl]-N-methylmethanimidamide.
What is the SMILES notation for N-ethyl-N'-[5-fluoro-2-methyl-4-(3-pyridin-2-yloxyoxetan-3-yl)phenyl]-N-methylmethanimidamide?
The canonical SMILES for N-ethyl-N'-[5-fluoro-2-methyl-4-(3-pyridin-2-yloxyoxetan-3-yl)phenyl]-N-methylmethanimidamide is CCN(C)/C=N/c1cc(F)c(C2(Oc3ccccn3)COC2)cc1C.
What is the InChIKey of N-ethyl-N'-[5-fluoro-2-methyl-4-(3-pyridin-2-yloxyoxetan-3-yl)phenyl]-N-methylmethanimidamide?
The InChIKey is PXIVAPBJGIBCKT-LPYMAVHISA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-4-23(3)13-22-17-10-16(20)15(9-14(17)2)19(11-24-12-19)25-18-7-5-6-8-21-18/h5-10,13H,4,11-12H2,1-3H3/b22-13+.
What are the key properties of N-ethyl-N'-[5-fluoro-2-methyl-4-(3-pyridin-2-yloxyoxetan-3-yl)phenyl]-N-methylmethanimidamide?
N-ethyl-N'-[5-fluoro-2-methyl-4-(3-pyridin-2-yloxyoxetan-3-yl)phenyl]-N-methylmethanimidamide has a molecular weight of 343.40 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[5-fluoro-2-methyl-4-(3-pyridin-2-yloxyoxetan-3-yl)phenyl]-N-methylmethanimidamide is sourced from PubChem (CID 167445165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).