[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-fluorophenyl)methanone

C19H22FN3O2 — CID 125027072

IUPAC[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-fluorophenyl)methanone
SMILESCc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3cccc(F)c3)CCO2)n1
InChIInChI=1S/C19H22FN3O2/c1-13-9-16(22(2)3)11-17(21-13)18-12-23(7-8-25-18)19(24)14-5-4-6-15(20)10-14/h4-6,9-11,18H,7-8,12H2,1-3H3/t18-/m0/s1
InChIKeyZYGSJQJWPOHOEG-SFHVURJKSA-N
MW343.40 g/mol
LogP2.81
Rot. Bonds3

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

[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-fluorophenyl)methanone (PubChem CID 125027072) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is [(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-fluorophenyl)methanone
PubChem CID125027072
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-fluorophenyl)methanone
SMILESCc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3cccc(F)c3)CCO2)n1
InChIInChI=1S/C19H22FN3O2/c1-13-9-16(22(2)3)11-17(21-13)18-12-23(7-8-25-18)19(24)14-5-4-6-15(20)10-14/h4-6,9-11,18H,7-8,12H2,1-3H3/t18-/m0/s1
InChIKeyZYGSJQJWPOHOEG-SFHVURJKSA-N
XLogP2.81
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 124953671
[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methylthiophen-2-yl)methanone
CID 124992366
[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 124981281
[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone
CID 125016784
[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone
CID 110113611
1-[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 124981363
[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 110113584
1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 110113531
1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 110113577
[2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
CID 127251451
[2-[6-(dimethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-phenylmethanone
CID 110271867
[(2R)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(3-fluoro-4-methylphenyl)methanone
CID 124951632

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-fluorophenyl)methanone (CID 125027072) is [(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-fluorophenyl)methanone is Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3cccc(F)c3)CCO2)n1.
What is the InChIKey of [(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-fluorophenyl)methanone?
The InChIKey is ZYGSJQJWPOHOEG-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-13-9-16(22(2)3)11-17(21-13)18-12-23(7-8-25-18)19(24)14-5-4-6-15(20)10-14/h4-6,9-11,18H,7-8,12H2,1-3H3/t18-/m0/s1.
What are the key properties of [(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-fluorophenyl)methanone?
[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-fluorophenyl)methanone has a molecular weight of 343.40 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 125027072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).