[5-(2-methoxyanilino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C21H22N6O2 — CID 109286594

IUPAC[5-(2-methoxyanilino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccccc1Nc1cnc(C(=O)N2CCN(c3ccccn3)CC2)cn1
InChIInChI=1S/C21H22N6O2/c1-29-18-7-3-2-6-16(18)25-19-15-23-17(14-24-19)21(28)27-12-10-26(11-13-27)20-8-4-5-9-22-20/h2-9,14-15H,10-13H2,1H3,(H,24,25)
InChIKeyXRZRBGIFRCKQLZ-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.59
Rot. Bonds5

About [5-(2-methoxyanilino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[5-(2-methoxyanilino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 109286594) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is [5-(2-methoxyanilino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-methoxyanilino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID109286594
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name[5-(2-methoxyanilino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccccc1Nc1cnc(C(=O)N2CCN(c3ccccn3)CC2)cn1
InChIInChI=1S/C21H22N6O2/c1-29-18-7-3-2-6-16(18)25-19-15-23-17(14-24-19)21(28)27-12-10-26(11-13-27)20-8-4-5-9-22-20/h2-9,14-15H,10-13H2,1H3,(H,24,25)
InChIKeyXRZRBGIFRCKQLZ-UHFFFAOYSA-N
XLogP2.59
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(2-methoxyanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278823
[5-(3-methoxypropylamino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109276259
[5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288724
(4-methylpiperazin-1-yl)-[5-(2-phenoxyanilino)pyrazin-2-yl]methanone
CID 109278224
[5-[(4-fluorophenyl)methylamino]pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109281692
[5-(2-chloroanilino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109286673
[5-(2-methoxyanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109193419
N-[1-(2-methoxyanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 171138978
1-[4-[5-(2-methylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279080
N-[(2-methoxyphenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108892372
(3,4-dimethoxy-2-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 166391089
N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898785

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxyanilino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-(2-methoxyanilino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 109286594) is [5-(2-methoxyanilino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(2-methoxyanilino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(2-methoxyanilino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is COc1ccccc1Nc1cnc(C(=O)N2CCN(c3ccccn3)CC2)cn1.
What is the InChIKey of [5-(2-methoxyanilino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is XRZRBGIFRCKQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-29-18-7-3-2-6-16(18)25-19-15-23-17(14-24-19)21(28)27-12-10-26(11-13-27)20-8-4-5-9-22-20/h2-9,14-15H,10-13H2,1H3,(H,24,25).
What are the key properties of [5-(2-methoxyanilino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[5-(2-methoxyanilino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 390.45 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxyanilino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109286594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).