[5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone

C16H18ClN5O — CID 109278166

IUPAC[5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cnc(Nc3ccccc3Cl)cn2)CC1
InChIInChI=1S/C16H18ClN5O/c1-21-6-8-22(9-7-21)16(23)14-10-19-15(11-18-14)20-13-5-3-2-4-12(13)17/h2-5,10-11H,6-9H2,1H3,(H,19,20)
InChIKeyNYIJEQHDLYQSGD-UHFFFAOYSA-N
MW331.81 g/mol
LogP2.26
Rot. Bonds3

About [5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone

[5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109278166) has the molecular formula C16H18ClN5O and a molecular weight of 331.81 g/mol. Its IUPAC name is [5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109278166
Molecular FormulaC16H18ClN5O
Molecular Weight331.81 g/mol
Exact Mass331.12
IUPAC Name[5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cnc(Nc3ccccc3Cl)cn2)CC1
InChIInChI=1S/C16H18ClN5O/c1-21-6-8-22(9-7-21)16(23)14-10-19-15(11-18-14)20-13-5-3-2-4-12(13)17/h2-5,10-11H,6-9H2,1H3,(H,19,20)
InChIKeyNYIJEQHDLYQSGD-UHFFFAOYSA-N
XLogP2.26
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2,3-dichloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278233
[5-(2-chloroanilino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109286673
(4-methylpiperazin-1-yl)-[5-(2-phenoxyanilino)pyrazin-2-yl]methanone
CID 109278224
[5-(2,3-dichloroanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273678
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
[5-(2-chloroanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288522
5-(2-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290226
[6-(2,3-dichloroanilino)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116455
[5-(2,4-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275168
4-[5-(2,3-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278797
4-[5-(2-methoxyanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278823

Frequently Asked Questions

What is the IUPAC name of [5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 109278166) is [5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cnc(Nc3ccccc3Cl)cn2)CC1.
What is the InChIKey of [5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is NYIJEQHDLYQSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O/c1-21-6-8-22(9-7-21)16(23)14-10-19-15(11-18-14)20-13-5-3-2-4-12(13)17/h2-5,10-11H,6-9H2,1H3,(H,19,20).
What are the key properties of [5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
[5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 331.81 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109278166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).