[5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone

C23H25N5O — CID 109279832

IUPAC[5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cnc(NCc4ccccc4)cn3)CC2)c1
InChIInChI=1S/C23H25N5O/c1-18-6-5-9-20(14-18)27-10-12-28(13-11-27)23(29)21-16-26-22(17-24-21)25-15-19-7-3-2-4-8-19/h2-9,14,16-17H,10-13,15H2,1H3,(H,25,26)
InChIKeyNENRDOQNTMRNBD-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.36
Rot. Bonds5

About [5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone

[5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 109279832) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is [5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID109279832
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name[5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cnc(NCc4ccccc4)cn3)CC2)c1
InChIInChI=1S/C23H25N5O/c1-18-6-5-9-20(14-18)27-10-12-28(13-11-27)23(29)21-16-26-22(17-24-21)25-15-19-7-3-2-4-8-19/h2-9,14,16-17H,10-13,15H2,1H3,(H,25,26)
InChIKeyNENRDOQNTMRNBD-UHFFFAOYSA-N
XLogP3.36
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109280389
azepan-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone
CID 109280403
[5-(2-fluoroanilino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109286388
[4-(3-methylphenyl)piperazin-1-yl]-[5-(oxolan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109276969
[4-(3-methylphenyl)piperazin-1-yl]-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]methanone
CID 109121250
[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109255963
[5-(benzylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109188000
2,3-dihydroindol-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone
CID 109280409
[5-(3-methoxypropylamino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109276242
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)pyrazin-2-yl]methanone
CID 109272206
[5-(2,3-dimethylanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109285519
[5-[(4-fluorophenyl)methylamino]pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109281692

Frequently Asked Questions

What is the IUPAC name of [5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 109279832) is [5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)c3cnc(NCc4ccccc4)cn3)CC2)c1.
What is the InChIKey of [5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is NENRDOQNTMRNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-18-6-5-9-20(14-18)27-10-12-28(13-11-27)23(29)21-16-26-22(17-24-21)25-15-19-7-3-2-4-8-19/h2-9,14,16-17H,10-13,15H2,1H3,(H,25,26).
What are the key properties of [5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
[5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 387.49 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109279832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).