3-(3-fluorophenyl)-1-[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one

C20H24FN3O2 — CID 124960389

IUPAC3-(3-fluorophenyl)-1-[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
SMILESCNc1cc(C)nc([C@H]2CN(C(=O)CCc3cccc(F)c3)CCO2)c1
InChIInChI=1S/C20H24FN3O2/c1-14-10-17(22-2)12-18(23-14)19-13-24(8-9-26-19)20(25)7-6-15-4-3-5-16(21)11-15/h3-5,10-12,19H,6-9,13H2,1-2H3,(H,22,23)/t19-/m1/s1
InChIKeyGUHASZYFARHUKM-LJQANCHMSA-N
MW357.43 g/mol
LogP3.10
Rot. Bonds5

About 3-(3-fluorophenyl)-1-[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one

3-(3-fluorophenyl)-1-[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one (PubChem CID 124960389) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
PubChem CID124960389
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name3-(3-fluorophenyl)-1-[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
SMILESCNc1cc(C)nc([C@H]2CN(C(=O)CCc3cccc(F)c3)CCO2)c1
InChIInChI=1S/C20H24FN3O2/c1-14-10-17(22-2)12-18(23-14)19-13-24(8-9-26-19)20(25)7-6-15-4-3-5-16(21)11-15/h3-5,10-12,19H,6-9,13H2,1-2H3,(H,22,23)/t19-/m1/s1
InChIKeyGUHASZYFARHUKM-LJQANCHMSA-N
XLogP3.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 124955633
1-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 125007770
2-(4-fluorophenyl)-1-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone
CID 129454540
(2-fluorophenyl)-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 125015560
4-(4-fluorophenyl)-1-[2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]butan-1-one
CID 127251663
4-(4-fluorophenyl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]butan-1-one
CID 125014289
1-[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 124995314
(E)-1-[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-phenylprop-2-en-1-one
CID 124951344
[2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
CID 127251451
1-[(2R)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(3-chlorophenyl)propan-1-one
CID 124986015
1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 124990126
[2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone
CID 127251579

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(3-fluorophenyl)-1-[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one (CID 124960389) is 3-(3-fluorophenyl)-1-[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(3-fluorophenyl)-1-[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(3-fluorophenyl)-1-[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one is CNc1cc(C)nc([C@H]2CN(C(=O)CCc3cccc(F)c3)CCO2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-1-[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one?
The InChIKey is GUHASZYFARHUKM-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-14-10-17(22-2)12-18(23-14)19-13-24(8-9-26-19)20(25)7-6-15-4-3-5-16(21)11-15/h3-5,10-12,19H,6-9,13H2,1-2H3,(H,22,23)/t19-/m1/s1.
What are the key properties of 3-(3-fluorophenyl)-1-[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one?
3-(3-fluorophenyl)-1-[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one has a molecular weight of 357.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 124960389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).