1-(2-pyrazin-2-ylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one

C16H18N4O2 — CID 127246248

IUPAC1-(2-pyrazin-2-ylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one
SMILESO=C(CCc1cccnc1)N1CCOC(c2cnccn2)C1
InChIInChI=1S/C16H18N4O2/c21-16(4-3-13-2-1-5-17-10-13)20-8-9-22-15(12-20)14-11-18-6-7-19-14/h1-2,5-7,10-11,15H,3-4,8-9,12H2
InChIKeyPXTJQLLNUMFWAI-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.40
Rot. Bonds4

About 1-(2-pyrazin-2-ylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one

1-(2-pyrazin-2-ylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one (PubChem CID 127246248) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(2-pyrazin-2-ylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-pyrazin-2-ylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one
PubChem CID127246248
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-(2-pyrazin-2-ylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one
SMILESO=C(CCc1cccnc1)N1CCOC(c2cnccn2)C1
InChIInChI=1S/C16H18N4O2/c21-16(4-3-13-2-1-5-17-10-13)20-8-9-22-15(12-20)14-11-18-6-7-19-14/h1-2,5-7,10-11,15H,3-4,8-9,12H2
InChIKeyPXTJQLLNUMFWAI-UHFFFAOYSA-N
XLogP1.40
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 125010165
1-(2-pyrazin-2-ylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one
CID 127246266
2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]ethanone
CID 124953915
1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 124976068
3-phenoxy-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one
CID 124947678
1-[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 124995314
3-(1H-indol-3-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one
CID 124952727
1-[2-(4-bromophenyl)morpholin-4-yl]-4-pyridin-3-ylbutan-1-one
CID 110632312
2-cyclopentyl-1-(2-pyrazin-2-ylmorpholin-4-yl)ethanone
CID 127246236
4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one
CID 124944928
1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 110113956
3-[methyl(pyridin-3-ylmethyl)amino]-1-(2-pyridin-4-ylmorpholin-4-yl)propan-1-one
CID 110102620

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrazin-2-ylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-(2-pyrazin-2-ylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one (CID 127246248) is 1-(2-pyrazin-2-ylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-(2-pyrazin-2-ylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-(2-pyrazin-2-ylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one is O=C(CCc1cccnc1)N1CCOC(c2cnccn2)C1.
What is the InChIKey of 1-(2-pyrazin-2-ylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one?
The InChIKey is PXTJQLLNUMFWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-16(4-3-13-2-1-5-17-10-13)20-8-9-22-15(12-20)14-11-18-6-7-19-14/h1-2,5-7,10-11,15H,3-4,8-9,12H2.
What are the key properties of 1-(2-pyrazin-2-ylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one?
1-(2-pyrazin-2-ylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one has a molecular weight of 298.35 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrazin-2-ylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 127246248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).