[5-(2-bromo-4-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone

C18H21BrN4O — CID 109288759

IUPAC[5-(2-bromo-4-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1ccc(Nc2cnc(C(=O)N3CCCC(C)C3)cn2)c(Br)c1
InChIInChI=1S/C18H21BrN4O/c1-12-5-6-15(14(19)8-12)22-17-10-20-16(9-21-17)18(24)23-7-3-4-13(2)11-23/h5-6,8-10,13H,3-4,7,11H2,1-2H3,(H,21,22)
InChIKeyBYJCIZRZJDUANU-UHFFFAOYSA-N
MW389.30 g/mol
LogP4.16
Rot. Bonds3

About [5-(2-bromo-4-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone

[5-(2-bromo-4-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109288759) has the molecular formula C18H21BrN4O and a molecular weight of 389.30 g/mol. Its IUPAC name is [5-(2-bromo-4-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-bromo-4-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109288759
Molecular FormulaC18H21BrN4O
Molecular Weight389.30 g/mol
Exact Mass388.09
IUPAC Name[5-(2-bromo-4-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1ccc(Nc2cnc(C(=O)N3CCCC(C)C3)cn2)c(Br)c1
InChIInChI=1S/C18H21BrN4O/c1-12-5-6-15(14(19)8-12)22-17-10-20-16(9-21-17)18(24)23-7-3-4-13(2)11-23/h5-6,8-10,13H,3-4,7,11H2,1-2H3,(H,21,22)
InChIKeyBYJCIZRZJDUANU-UHFFFAOYSA-N
XLogP4.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-bromo-2-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288760
[2-(2-bromo-4-methylanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109175751
[5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288724
[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288719
[5-(5-chloro-2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288721
[5-[2-chloro-5-(trifluoromethyl)anilino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288746
[6-(2-bromoanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126106
(3-methylpiperidin-1-yl)-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
CID 109283932
[5-(2,4-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275168
N-(2-bromo-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926238
(3-methylpiperidin-1-yl)-[5-(pyridin-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109283106
[2-(2-bromo-4-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297812

Frequently Asked Questions

What is the IUPAC name of [5-(2-bromo-4-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(2-bromo-4-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone (CID 109288759) is [5-(2-bromo-4-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(2-bromo-4-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(2-bromo-4-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone is Cc1ccc(Nc2cnc(C(=O)N3CCCC(C)C3)cn2)c(Br)c1.
What is the InChIKey of [5-(2-bromo-4-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is BYJCIZRZJDUANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O/c1-12-5-6-15(14(19)8-12)22-17-10-20-16(9-21-17)18(24)23-7-3-4-13(2)11-23/h5-6,8-10,13H,3-4,7,11H2,1-2H3,(H,21,22).
What are the key properties of [5-(2-bromo-4-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone?
[5-(2-bromo-4-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 389.30 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-bromo-4-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109288759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).