1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyridin-4-ylbutan-1-one

C20H26N4O2 — CID 110133432

IUPAC1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyridin-4-ylbutan-1-one
SMILESCc1nccnc1CCC1COCCN1C(=O)CCCc1ccncc1
InChIInChI=1S/C20H26N4O2/c1-16-19(23-12-11-22-16)6-5-18-15-26-14-13-24(18)20(25)4-2-3-17-7-9-21-10-8-17/h7-12,18H,2-6,13-15H2,1H3
InChIKeyJEWKBBMWMLDDIR-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.36
Rot. Bonds7

About 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyridin-4-ylbutan-1-one

1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyridin-4-ylbutan-1-one (PubChem CID 110133432) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyridin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyridin-4-ylbutan-1-one
PubChem CID110133432
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyridin-4-ylbutan-1-one
SMILESCc1nccnc1CCC1COCCN1C(=O)CCCc1ccncc1
InChIInChI=1S/C20H26N4O2/c1-16-19(23-12-11-22-16)6-5-18-15-26-14-13-24(18)20(25)4-2-3-17-7-9-21-10-8-17/h7-12,18H,2-6,13-15H2,1H3
InChIKeyJEWKBBMWMLDDIR-UHFFFAOYSA-N
XLogP2.36
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]butan-1-one
CID 124942838
1-[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124995035
1-[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyrazol-1-ylbutan-1-one
CID 125013815
2-(4-fluorophenoxy)-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
CID 124981179
1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone
CID 124985758
2-cyclopentyl-1-[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
CID 124945965
2-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
CID 124941983
N-[2-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide
CID 125002656
[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(1,2-oxazol-5-yl)methanone
CID 124976639
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
CID 125026964
[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-thiophen-3-ylmethanone
CID 124970486
[3-(methoxymethyl)phenyl]-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone
CID 124956604

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyridin-4-ylbutan-1-one?
The IUPAC name of 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyridin-4-ylbutan-1-one (CID 110133432) is 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyridin-4-ylbutan-1-one.
What is the SMILES notation for 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyridin-4-ylbutan-1-one?
The canonical SMILES for 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyridin-4-ylbutan-1-one is Cc1nccnc1CCC1COCCN1C(=O)CCCc1ccncc1.
What is the InChIKey of 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyridin-4-ylbutan-1-one?
The InChIKey is JEWKBBMWMLDDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-16-19(23-12-11-22-16)6-5-18-15-26-14-13-24(18)20(25)4-2-3-17-7-9-21-10-8-17/h7-12,18H,2-6,13-15H2,1H3.
What are the key properties of 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyridin-4-ylbutan-1-one?
1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyridin-4-ylbutan-1-one has a molecular weight of 354.45 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyridin-4-ylbutan-1-one is sourced from PubChem (CID 110133432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).