1-[(2R)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one

C18H23N5O2 — CID 125010165

IUPAC1-[(2R)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
SMILESCN(C)c1nccnc1[C@H]1CN(C(=O)CCc2cccnc2)CCO1
InChIInChI=1S/C18H23N5O2/c1-22(2)18-17(20-8-9-21-18)15-13-23(10-11-25-15)16(24)6-5-14-4-3-7-19-12-14/h3-4,7-9,12,15H,5-6,10-11,13H2,1-2H3/t15-/m1/s1
InChIKeyVHLXRUKDQQUIKF-OAHLLOKOSA-N
MW341.42 g/mol
LogP1.47
Rot. Bonds5

About 1-[(2R)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one

1-[(2R)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one (PubChem CID 125010165) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[(2R)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
PubChem CID125010165
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-[(2R)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
SMILESCN(C)c1nccnc1[C@H]1CN(C(=O)CCc2cccnc2)CCO1
InChIInChI=1S/C18H23N5O2/c1-22(2)18-17(20-8-9-21-18)15-13-23(10-11-25-15)16(24)6-5-14-4-3-7-19-12-14/h3-4,7-9,12,15H,5-6,10-11,13H2,1-2H3/t15-/m1/s1
InChIKeyVHLXRUKDQQUIKF-OAHLLOKOSA-N
XLogP1.47
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-pyrazin-2-ylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one
CID 127246248
1-[(2R)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-2-pyridin-3-yloxyethanone
CID 124955840
1-[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 124995314
1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 124976068
1-[(2R)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 124949111
3-[methyl(pyridin-3-ylmethyl)amino]-1-(2-pyridin-4-ylmorpholin-4-yl)propan-1-one
CID 110102620
2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]ethanone
CID 124953915
1-[2-(4-bromophenyl)morpholin-4-yl]-4-pyridin-3-ylbutan-1-one
CID 110632312
3-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one
CID 125007577
1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 110113956
1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 125019079
1-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 124982478

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[(2R)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one (CID 125010165) is 1-[(2R)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[(2R)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[(2R)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one is CN(C)c1nccnc1[C@H]1CN(C(=O)CCc2cccnc2)CCO1.
What is the InChIKey of 1-[(2R)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one?
The InChIKey is VHLXRUKDQQUIKF-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22(2)18-17(20-8-9-21-18)15-13-23(10-11-25-15)16(24)6-5-14-4-3-7-19-12-14/h3-4,7-9,12,15H,5-6,10-11,13H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one?
1-[(2R)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 341.42 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 125010165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).