[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone

C19H22FN3O3 — CID 125016156

IUPAC[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCO[C@H](c3cccc(N(C)C)n3)C2)cc1F
InChIInChI=1S/C19H22FN3O3/c1-22(2)18-6-4-5-15(21-18)17-12-23(9-10-26-17)19(24)13-7-8-16(25-3)14(20)11-13/h4-8,11,17H,9-10,12H2,1-3H3/t17-/m0/s1
InChIKeyWYPCOFZLOPNPPU-KRWDZBQOSA-N
MW359.40 g/mol
LogP2.51
Rot. Bonds4

About [(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone

[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone (PubChem CID 125016156) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is [(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone
PubChem CID125016156
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCO[C@H](c3cccc(N(C)C)n3)C2)cc1F
InChIInChI=1S/C19H22FN3O3/c1-22(2)18-6-4-5-15(21-18)17-12-23(9-10-26-17)19(24)13-7-8-16(25-3)14(20)11-13/h4-8,11,17H,9-10,12H2,1-3H3/t17-/m0/s1
InChIKeyWYPCOFZLOPNPPU-KRWDZBQOSA-N
XLogP2.51
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(5-methyl-3-pyridinyl)methanone
CID 110112057
[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 110097811
[(2R)-2-ethylmorpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 51934437
[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-thiophen-2-ylmethanone
CID 124997234
[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 125008999
(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894714
4-(3-fluoro-4-methoxybenzoyl)morpholine-2-carbothioamide
CID 79675182
[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 124950048
[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone
CID 92598325
[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-propylpyrazol-3-yl)methanone
CID 124952383
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 90639726
[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 124953671

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of [(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone (CID 125016156) is [(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for [(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for [(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCO[C@H](c3cccc(N(C)C)n3)C2)cc1F.
What is the InChIKey of [(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The InChIKey is WYPCOFZLOPNPPU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-22(2)18-6-4-5-15(21-18)17-12-23(9-10-26-17)19(24)13-7-8-16(25-3)14(20)11-13/h4-8,11,17H,9-10,12H2,1-3H3/t17-/m0/s1.
What are the key properties of [(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone?
[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone has a molecular weight of 359.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 125016156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).