[5-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone

C21H29N5O3 — CID 109278454

IUPAC[5-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cnc(NCCc3ccc(OC)c(OC)c3)cn2)CC1
InChIInChI=1S/C21H29N5O3/c1-4-25-9-11-26(12-10-25)21(27)17-14-24-20(15-23-17)22-8-7-16-5-6-18(28-2)19(13-16)29-3/h5-6,13-15H,4,7-12H2,1-3H3,(H,22,24)
InChIKeyFOKZAUHHTVGAAG-UHFFFAOYSA-N
MW399.50 g/mol
LogP1.93
Rot. Bonds8

About [5-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone

[5-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 109278454) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is [5-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID109278454
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name[5-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cnc(NCCc3ccc(OC)c(OC)c3)cn2)CC1
InChIInChI=1S/C21H29N5O3/c1-4-25-9-11-26(12-10-25)21(27)17-14-24-20(15-23-17)22-8-7-16-5-6-18(28-2)19(13-16)29-3/h5-6,13-15H,4,7-12H2,1-3H3,(H,22,24)
InChIKeyFOKZAUHHTVGAAG-UHFFFAOYSA-N
XLogP1.93
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-ethylpiperazin-1-yl)-[5-[2-(2-methoxyphenyl)ethylamino]pyrazin-2-yl]methanone
CID 109278444
[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208435
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N,N-diethylpyrazine-2-carboxamide
CID 109285752
(4-ethylpiperazin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 109270974
5-[3-(3,4-dimethoxyphenyl)propylamino]pyrazine-2-carboxylic acid
CID 122053296
[5-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276428
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-ethylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278606
5-[2-(3-methoxy-4-methylphenyl)ethylamino]pyrazine-2-carboxylic acid
CID 122053945
5-[3-(3-ethoxy-4-methoxyphenyl)propylamino]pyrazine-2-carboxylic acid
CID 122053887
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109285764
[6-[2-(3,4-dimethoxyphenyl)ethylamino]-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367043
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858059

Frequently Asked Questions

What is the IUPAC name of [5-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [5-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone (CID 109278454) is [5-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cnc(NCCc3ccc(OC)c(OC)c3)cn2)CC1.
What is the InChIKey of [5-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is FOKZAUHHTVGAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-4-25-9-11-26(12-10-25)21(27)17-14-24-20(15-23-17)22-8-7-16-5-6-18(28-2)19(13-16)29-3/h5-6,13-15H,4,7-12H2,1-3H3,(H,22,24).
What are the key properties of [5-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone?
[5-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 399.50 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 109278454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).