[5-(ethylamino)pyrazin-2-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone

C13H20N4O2 — CID 107373865

IUPAC[5-(ethylamino)pyrazin-2-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCNc1cnc(C(=O)N2CCCC(CO)C2)cn1
InChIInChI=1S/C13H20N4O2/c1-2-14-12-7-15-11(6-16-12)13(19)17-5-3-4-10(8-17)9-18/h6-7,10,18H,2-5,8-9H2,1H3,(H,14,16)
InChIKeyYZPVCKQIVIJCBA-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.75
Rot. Bonds4

About [5-(ethylamino)pyrazin-2-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone

[5-(ethylamino)pyrazin-2-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 107373865) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is [5-(ethylamino)pyrazin-2-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(ethylamino)pyrazin-2-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID107373865
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name[5-(ethylamino)pyrazin-2-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCNc1cnc(C(=O)N2CCCC(CO)C2)cn1
InChIInChI=1S/C13H20N4O2/c1-2-14-12-7-15-11(6-16-12)13(19)17-5-3-4-10(8-17)9-18/h6-7,10,18H,2-5,8-9H2,1H3,(H,14,16)
InChIKeyYZPVCKQIVIJCBA-UHFFFAOYSA-N
XLogP0.75
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(ethylamino)pyrazin-2-yl]-(3-ethylpiperidin-1-yl)methanone
CID 107374588
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107375576
(3,4-dimethylpiperidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107376989
[5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone
CID 107375687
(3-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone
CID 107378136
(3,4-dimethylpiperazin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107375674
[5-(ethylamino)pyrazin-2-yl]-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 107376098
(3-ethoxypiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107375356
(2-ethyl-1,3-thiazol-5-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110907783
[6-(ethylamino)-2-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228661
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228721
5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685568

Frequently Asked Questions

What is the IUPAC name of [5-(ethylamino)pyrazin-2-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [5-(ethylamino)pyrazin-2-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 107373865) is [5-(ethylamino)pyrazin-2-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(ethylamino)pyrazin-2-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(ethylamino)pyrazin-2-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone is CCNc1cnc(C(=O)N2CCCC(CO)C2)cn1.
What is the InChIKey of [5-(ethylamino)pyrazin-2-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is YZPVCKQIVIJCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-14-12-7-15-11(6-16-12)13(19)17-5-3-4-10(8-17)9-18/h6-7,10,18H,2-5,8-9H2,1H3,(H,14,16).
What are the key properties of [5-(ethylamino)pyrazin-2-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
[5-(ethylamino)pyrazin-2-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 264.33 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethylamino)pyrazin-2-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 107373865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).