[5-(2,3-dichloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone

C16H17Cl2N5O — CID 109278233

IUPAC[5-(2,3-dichloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cnc(Nc3cccc(Cl)c3Cl)cn2)CC1
InChIInChI=1S/C16H17Cl2N5O/c1-22-5-7-23(8-6-22)16(24)13-9-20-14(10-19-13)21-12-4-2-3-11(17)15(12)18/h2-4,9-10H,5-8H2,1H3,(H,20,21)
InChIKeyVEEMYQPJVMPIPN-UHFFFAOYSA-N
MW366.25 g/mol
LogP2.91
Rot. Bonds3

About [5-(2,3-dichloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone

[5-(2,3-dichloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109278233) has the molecular formula C16H17Cl2N5O and a molecular weight of 366.25 g/mol. Its IUPAC name is [5-(2,3-dichloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2,3-dichloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109278233
Molecular FormulaC16H17Cl2N5O
Molecular Weight366.25 g/mol
Exact Mass365.08
IUPAC Name[5-(2,3-dichloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cnc(Nc3cccc(Cl)c3Cl)cn2)CC1
InChIInChI=1S/C16H17Cl2N5O/c1-22-5-7-23(8-6-22)16(24)13-9-20-14(10-19-13)21-12-4-2-3-11(17)15(12)18/h2-4,9-10H,5-8H2,1H3,(H,20,21)
InChIKeyVEEMYQPJVMPIPN-UHFFFAOYSA-N
XLogP2.91
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278166
[5-(2,3-dichloroanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273678
[6-(2,3-dichloroanilino)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116455
(4-methylpiperazin-1-yl)-[5-(2-phenoxyanilino)pyrazin-2-yl]methanone
CID 109278224
[5-(2-chloroanilino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109286673
5-(2,3-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286840
1-[4-[5-(2-methylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279080
[5-(2-tert-butylanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273606
[6-(2,3-dichloroanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109345540
4-[5-(2,3-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278797
[5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274372
[5-(2,3-dimethylanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109285519

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dichloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(2,3-dichloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 109278233) is [5-(2,3-dichloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(2,3-dichloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(2,3-dichloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cnc(Nc3cccc(Cl)c3Cl)cn2)CC1.
What is the InChIKey of [5-(2,3-dichloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is VEEMYQPJVMPIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N5O/c1-22-5-7-23(8-6-22)16(24)13-9-20-14(10-19-13)21-12-4-2-3-11(17)15(12)18/h2-4,9-10H,5-8H2,1H3,(H,20,21).
What are the key properties of [5-(2,3-dichloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
[5-(2,3-dichloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 366.25 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dichloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109278233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).