(2S)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-methylmorpholine-4-carboxamide

C18H20FN3O3 — CID 94030864

IUPAC(2S)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-methylmorpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)CCO1
InChIInChI=1S/C18H20FN3O3/c1-13-12-22(8-9-24-13)18(23)21-11-14-2-7-17(20-10-14)25-16-5-3-15(19)4-6-16/h2-7,10,13H,8-9,11-12H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeyIAKLGSXHMZOOIT-ZDUSSCGKSA-N
MW345.37 g/mol
LogP2.94
Rot. Bonds4

About (2S)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-methylmorpholine-4-carboxamide

(2S)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-methylmorpholine-4-carboxamide (PubChem CID 94030864) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is (2S)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-methylmorpholine-4-carboxamide
PubChem CID94030864
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name(2S)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-methylmorpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)CCO1
InChIInChI=1S/C18H20FN3O3/c1-13-12-22(8-9-24-13)18(23)21-11-14-2-7-17(20-10-14)25-16-5-3-15(19)4-6-16/h2-7,10,13H,8-9,11-12H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeyIAKLGSXHMZOOIT-ZDUSSCGKSA-N
XLogP2.94
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-methylmorpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
CID 86879860
methyl 1-[N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111254239
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111168857
2-(4-fluorophenoxy)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 94527179
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 60610905
(4S)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1,3-dimethyl-5-oxo-4H-pyrazole-4-carboxamide
CID 98258923
(2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119847800
(2R)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-4-carboxamide
CID 94031304
(2R)-2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-4-carboxamide
CID 95158455
(2S)-2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-4-carboxamide
CID 95158456
ethyl 1-[N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate
CID 110993101
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111737462

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-methylmorpholine-4-carboxamide?
The IUPAC name of (2S)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-methylmorpholine-4-carboxamide (CID 94030864) is (2S)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-methylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-methylmorpholine-4-carboxamide is C[C@H]1CN(C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)CCO1.
What is the InChIKey of (2S)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-methylmorpholine-4-carboxamide?
The InChIKey is IAKLGSXHMZOOIT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-13-12-22(8-9-24-13)18(23)21-11-14-2-7-17(20-10-14)25-16-5-3-15(19)4-6-16/h2-7,10,13H,8-9,11-12H2,1H3,(H,21,23)/t13-/m0/s1.
What are the key properties of (2S)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-methylmorpholine-4-carboxamide?
(2S)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-methylmorpholine-4-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-methylmorpholine-4-carboxamide is sourced from PubChem (CID 94030864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).