(5-anilinopyrazin-2-yl)-(4-ethylpiperazin-1-yl)methanone

C17H21N5O — CID 109278481

IUPAC(5-anilinopyrazin-2-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cnc(Nc3ccccc3)cn2)CC1
InChIInChI=1S/C17H21N5O/c1-2-21-8-10-22(11-9-21)17(23)15-12-19-16(13-18-15)20-14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3,(H,19,20)
InChIKeyDZTXVWFIELQGOE-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.00
Rot. Bonds4

About (5-anilinopyrazin-2-yl)-(4-ethylpiperazin-1-yl)methanone

(5-anilinopyrazin-2-yl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 109278481) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (5-anilinopyrazin-2-yl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-anilinopyrazin-2-yl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID109278481
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(5-anilinopyrazin-2-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cnc(Nc3ccccc3)cn2)CC1
InChIInChI=1S/C17H21N5O/c1-2-21-8-10-22(11-9-21)17(23)15-12-19-16(13-18-15)20-14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3,(H,19,20)
InChIKeyDZTXVWFIELQGOE-UHFFFAOYSA-N
XLogP2.00
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)pyrazin-2-yl]methanone
CID 109278506
(4-ethylpiperazin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 109270974
(5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109285593
[5-(cyclopentylamino)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109274083
(5-anilinopyrazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109289416
(5-anilinopyrazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109284050
(4-ethylpiperazin-1-yl)-[5-[2-(2-methoxyphenyl)ethylamino]pyrazin-2-yl]methanone
CID 109278444
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone
CID 109186689
(2-anilino-6-methylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone
CID 109326196
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109278450
4-[5-(4-acetylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278838
1-[4-[5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279139

Frequently Asked Questions

What is the IUPAC name of (5-anilinopyrazin-2-yl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (5-anilinopyrazin-2-yl)-(4-ethylpiperazin-1-yl)methanone (CID 109278481) is (5-anilinopyrazin-2-yl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-anilinopyrazin-2-yl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (5-anilinopyrazin-2-yl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cnc(Nc3ccccc3)cn2)CC1.
What is the InChIKey of (5-anilinopyrazin-2-yl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is DZTXVWFIELQGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-2-21-8-10-22(11-9-21)17(23)15-12-19-16(13-18-15)20-14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3,(H,19,20).
What are the key properties of (5-anilinopyrazin-2-yl)-(4-ethylpiperazin-1-yl)methanone?
(5-anilinopyrazin-2-yl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 311.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-anilinopyrazin-2-yl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 109278481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).