(2-fluorophenyl)-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone

C18H20FN3O2 — CID 125015560

IUPAC(2-fluorophenyl)-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
SMILESCNc1cc(C)nc([C@@H]2CN(C(=O)c3ccccc3F)CCO2)c1
InChIInChI=1S/C18H20FN3O2/c1-12-9-13(20-2)10-16(21-12)17-11-22(7-8-24-17)18(23)14-5-3-4-6-15(14)19/h3-6,9-10,17H,7-8,11H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyWUNCRNMMYJRIAA-KRWDZBQOSA-N
MW329.38 g/mol
LogP2.78
Rot. Bonds3

About (2-fluorophenyl)-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone

(2-fluorophenyl)-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone (PubChem CID 125015560) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is (2-fluorophenyl)-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
PubChem CID125015560
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name(2-fluorophenyl)-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
SMILESCNc1cc(C)nc([C@@H]2CN(C(=O)c3ccccc3F)CCO2)c1
InChIInChI=1S/C18H20FN3O2/c1-12-9-13(20-2)10-16(21-12)17-11-22(7-8-24-17)18(23)14-5-3-4-6-15(14)19/h3-6,9-10,17H,7-8,11H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyWUNCRNMMYJRIAA-KRWDZBQOSA-N
XLogP2.78
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indol-2-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 110113526
(E)-1-[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-phenylprop-2-en-1-one
CID 124951344
2H-benzotriazol-5-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 155901308
[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124993388
3-(3-fluorophenyl)-1-[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124960389
[(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124967445
(1-ethylpyrazol-4-yl)-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 110113502
(2-fluorophenyl)-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327171
(2-methoxy-3-methylphenyl)-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone
CID 124965406
1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 124955633
[2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone
CID 127251578
1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 124990126

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone (CID 125015560) is (2-fluorophenyl)-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone is CNc1cc(C)nc([C@@H]2CN(C(=O)c3ccccc3F)CCO2)c1.
What is the InChIKey of (2-fluorophenyl)-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone?
The InChIKey is WUNCRNMMYJRIAA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-12-9-13(20-2)10-16(21-12)17-11-22(7-8-24-17)18(23)14-5-3-4-6-15(14)19/h3-6,9-10,17H,7-8,11H2,1-2H3,(H,20,21)/t17-/m0/s1.
What are the key properties of (2-fluorophenyl)-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone?
(2-fluorophenyl)-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone has a molecular weight of 329.38 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone is sourced from PubChem (CID 125015560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).