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

C17H18Cl2N4O — CID 109275168

IUPAC[5-(2,4-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cnc(Nc3ccc(Cl)cc3Cl)cn2)CC1
InChIInChI=1S/C17H18Cl2N4O/c1-11-4-6-23(7-5-11)17(24)15-9-21-16(10-20-15)22-14-3-2-12(18)8-13(14)19/h2-3,8-11H,4-7H2,1H3,(H,21,22)
InChIKeyMEGGCJAIAABMCV-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.40
Rot. Bonds3

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

[5-(2,4-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109275168) has the molecular formula C17H18Cl2N4O and a molecular weight of 365.26 g/mol. Its IUPAC name is [5-(2,4-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2,4-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109275168
Molecular FormulaC17H18Cl2N4O
Molecular Weight365.26 g/mol
Exact Mass364.09
IUPAC Name[5-(2,4-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cnc(Nc3ccc(Cl)cc3Cl)cn2)CC1
InChIInChI=1S/C17H18Cl2N4O/c1-11-4-6-23(7-5-11)17(24)15-9-21-16(10-20-15)22-14-3-2-12(18)8-13(14)19/h2-3,8-11H,4-7H2,1H3,(H,21,22)
InChIKeyMEGGCJAIAABMCV-UHFFFAOYSA-N
XLogP4.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3,5-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275170
[5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274372
[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275114
[5-(2,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183401
(4-methylpiperidin-1-yl)-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone
CID 109275097
[5-(5-chloro-2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288721
[5-[4-chloro-2-(trifluoromethyl)anilino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273671
5-(2,4-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286836
[5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278166
[5-[2-chloro-5-(trifluoromethyl)anilino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288746
[5-(2,3-dichloroanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273678
1-[4-[5-(3,5-dichloroanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279150

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(2,4-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone (CID 109275168) is [5-(2,4-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(2,4-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(2,4-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cnc(Nc3ccc(Cl)cc3Cl)cn2)CC1.
What is the InChIKey of [5-(2,4-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is MEGGCJAIAABMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O/c1-11-4-6-23(7-5-11)17(24)15-9-21-16(10-20-15)22-14-3-2-12(18)8-13(14)19/h2-3,8-11H,4-7H2,1H3,(H,21,22).
What are the key properties of [5-(2,4-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone?
[5-(2,4-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 365.26 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109275168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).