[5-(2,3-dimethylanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone

C23H25N5O — CID 109285519

IUPAC[5-(2,3-dimethylanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cccc(Nc2cnc(C(=O)N3CCN(c4ccccc4)CC3)cn2)c1C
InChIInChI=1S/C23H25N5O/c1-17-7-6-10-20(18(17)2)26-22-16-24-21(15-25-22)23(29)28-13-11-27(12-14-28)19-8-4-3-5-9-19/h3-10,15-16H,11-14H2,1-2H3,(H,25,26)
InChIKeyQJNIVHBLYIVESW-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.80
Rot. Bonds4

About [5-(2,3-dimethylanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone

[5-(2,3-dimethylanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109285519) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is [5-(2,3-dimethylanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2,3-dimethylanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109285519
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name[5-(2,3-dimethylanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cccc(Nc2cnc(C(=O)N3CCN(c4ccccc4)CC3)cn2)c1C
InChIInChI=1S/C23H25N5O/c1-17-7-6-10-20(18(17)2)26-22-16-24-21(15-25-22)23(29)28-13-11-27(12-14-28)19-8-4-3-5-9-19/h3-10,15-16H,11-14H2,1-2H3,(H,25,26)
InChIKeyQJNIVHBLYIVESW-UHFFFAOYSA-N
XLogP3.80
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(2,3-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278797
1-[4-[5-(2-methylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279080
[5-(2-fluoroanilino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109286388
(5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109285593
[5-(3,4-difluoroanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109285538
(5-anilinopyrazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109289416
N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193453
[6-(2,6-dimethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109352129
[5-(2,3-dimethylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109194531
[5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109279832
[5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278166
[5-(2-chloroanilino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109286673

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dimethylanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [5-(2,3-dimethylanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone (CID 109285519) is [5-(2,3-dimethylanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(2,3-dimethylanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(2,3-dimethylanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone is Cc1cccc(Nc2cnc(C(=O)N3CCN(c4ccccc4)CC3)cn2)c1C.
What is the InChIKey of [5-(2,3-dimethylanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is QJNIVHBLYIVESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-17-7-6-10-20(18(17)2)26-22-16-24-21(15-25-22)23(29)28-13-11-27(12-14-28)19-8-4-3-5-9-19/h3-10,15-16H,11-14H2,1-2H3,(H,25,26).
What are the key properties of [5-(2,3-dimethylanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone?
[5-(2,3-dimethylanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 387.49 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dimethylanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109285519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).