[5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone

C14H22N4O — CID 107375687

IUPAC[5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone
SMILESCCNc1cnc(C(=O)N2CCCC(C)CC2)cn1
InChIInChI=1S/C14H22N4O/c1-3-15-13-10-16-12(9-17-13)14(19)18-7-4-5-11(2)6-8-18/h9-11H,3-8H2,1-2H3,(H,15,17)
InChIKeyBKCAMWBIUGZDCP-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.17
Rot. Bonds3

About [5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone

[5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone (PubChem CID 107375687) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is [5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name[5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone
PubChem CID107375687
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name[5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone
SMILESCCNc1cnc(C(=O)N2CCCC(C)CC2)cn1
InChIInChI=1S/C14H22N4O/c1-3-15-13-10-16-12(9-17-13)14(19)18-7-4-5-11(2)6-8-18/h9-11H,3-8H2,1-2H3,(H,15,17)
InChIKeyBKCAMWBIUGZDCP-UHFFFAOYSA-N
XLogP2.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(ethylamino)pyrazin-2-yl]-(3-ethylpiperidin-1-yl)methanone
CID 107374588
(3,4-dimethylpiperidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107376989
[5-(ethylamino)pyrazin-2-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 107373865
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-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
[5-[2-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275036
[5-(3-methoxypropylamino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109276272
[5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109272535
(3-methylpiperidin-1-yl)-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
CID 109283932
(3-methylpiperidin-1-yl)-[5-(pyridin-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109283106
[5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275035

Frequently Asked Questions

What is the IUPAC name of [5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone?
The IUPAC name of [5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone (CID 107375687) is [5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone.
What is the SMILES notation for [5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone?
The canonical SMILES for [5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone is CCNc1cnc(C(=O)N2CCCC(C)CC2)cn1.
What is the InChIKey of [5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone?
The InChIKey is BKCAMWBIUGZDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-15-13-10-16-12(9-17-13)14(19)18-7-4-5-11(2)6-8-18/h9-11H,3-8H2,1-2H3,(H,15,17).
What are the key properties of [5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone?
[5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone has a molecular weight of 262.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone is sourced from PubChem (CID 107375687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).