[5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone

C18H22N4O2 — CID 109288724

IUPAC[5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccccc1Nc1cnc(C(=O)N2CCCC(C)C2)cn1
InChIInChI=1S/C18H22N4O2/c1-13-6-5-9-22(12-13)18(23)15-10-20-17(11-19-15)21-14-7-3-4-8-16(14)24-2/h3-4,7-8,10-11,13H,5-6,9,12H2,1-2H3,(H,20,21)
InChIKeyZWQACYSRNGSWJG-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.10
Rot. Bonds4

About [5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone

[5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109288724) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109288724
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccccc1Nc1cnc(C(=O)N2CCCC(C)C2)cn1
InChIInChI=1S/C18H22N4O2/c1-13-6-5-9-22(12-13)18(23)15-10-20-17(11-19-15)21-14-7-3-4-8-16(14)24-2/h3-4,7-8,10-11,13H,5-6,9,12H2,1-2H3,(H,20,21)
InChIKeyZWQACYSRNGSWJG-UHFFFAOYSA-N
XLogP3.10
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(5-chloro-2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288721
4-[5-(2-methoxyanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278823
[5-(2-methoxyanilino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109286594
[5-(2-bromo-4-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288759
[5-(4-bromo-2-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288760
(3-methylpiperidin-1-yl)-[6-(2-phenoxyanilino)pyrimidin-4-yl]methanone
CID 109355229
(3-methylpiperidin-1-yl)-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
CID 109283932
[5-[2-chloro-5-(trifluoromethyl)anilino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288746
(3-methylpiperidin-1-yl)-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone
CID 109196398
(3-methylpiperidin-1-yl)-[5-(pyridin-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109283106
[5-[2-(4-methoxyphenyl)ethylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109284918
N-(2-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048994

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone (CID 109288724) is [5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone is COc1ccccc1Nc1cnc(C(=O)N2CCCC(C)C2)cn1.
What is the InChIKey of [5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is ZWQACYSRNGSWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-6-5-9-22(12-13)18(23)15-10-20-17(11-19-15)21-14-7-3-4-8-16(14)24-2/h3-4,7-8,10-11,13H,5-6,9,12H2,1-2H3,(H,20,21).
What are the key properties of [5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone?
[5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109288724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).