[5-(5-chloro-2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone

C18H21ClN4O2 — CID 109288721

IUPAC[5-(5-chloro-2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(Cl)cc1Nc1cnc(C(=O)N2CCCC(C)C2)cn1
InChIInChI=1S/C18H21ClN4O2/c1-12-4-3-7-23(11-12)18(24)15-9-21-17(10-20-15)22-14-8-13(19)5-6-16(14)25-2/h5-6,8-10,12H,3-4,7,11H2,1-2H3,(H,21,22)
InChIKeyXXZLMJMRCBPIDJ-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.75
Rot. Bonds4

About [5-(5-chloro-2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone

[5-(5-chloro-2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109288721) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is [5-(5-chloro-2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(5-chloro-2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109288721
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name[5-(5-chloro-2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(Cl)cc1Nc1cnc(C(=O)N2CCCC(C)C2)cn1
InChIInChI=1S/C18H21ClN4O2/c1-12-4-3-7-23(11-12)18(24)15-9-21-17(10-20-15)22-14-8-13(19)5-6-16(14)25-2/h5-6,8-10,12H,3-4,7,11H2,1-2H3,(H,21,22)
InChIKeyXXZLMJMRCBPIDJ-UHFFFAOYSA-N
XLogP3.75
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288724
N-(5-chloro-2-methoxyphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090402
[5-[2-chloro-5-(trifluoromethyl)anilino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288746
[5-(2-bromo-4-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288759
[5-(4-bromo-2-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288760
[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181895
[5-(2,4-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275168
azepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone
CID 109196793
[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288719
[6-(2,5-dichloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126123
[5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274372
azepan-1-yl-[5-(3-chloro-4-methoxyanilino)pyrazin-2-yl]methanone
CID 109289240

Frequently Asked Questions

What is the IUPAC name of [5-(5-chloro-2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(5-chloro-2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone (CID 109288721) is [5-(5-chloro-2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(5-chloro-2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(5-chloro-2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone is COc1ccc(Cl)cc1Nc1cnc(C(=O)N2CCCC(C)C2)cn1.
What is the InChIKey of [5-(5-chloro-2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is XXZLMJMRCBPIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-12-4-3-7-23(11-12)18(24)15-9-21-17(10-20-15)22-14-8-13(19)5-6-16(14)25-2/h5-6,8-10,12H,3-4,7,11H2,1-2H3,(H,21,22).
What are the key properties of [5-(5-chloro-2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone?
[5-(5-chloro-2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 360.85 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-chloro-2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109288721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).