[6-(2-butoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C20H25N3O2 — CID 77087048

IUPAC[6-(2-butoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCCCCOc1ccc(C)cc1-c1cncc(C(=O)N2CCCC2)n1
InChIInChI=1S/C20H25N3O2/c1-3-4-11-25-19-8-7-15(2)12-16(19)17-13-21-14-18(22-17)20(24)23-9-5-6-10-23/h7-8,12-14H,3-6,9-11H2,1-2H3
InChIKeyKHGAKBWMERXHEI-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.87
Rot. Bonds6

About [6-(2-butoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone

[6-(2-butoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 77087048) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [6-(2-butoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(2-butoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID77087048
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[6-(2-butoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCCCCOc1ccc(C)cc1-c1cncc(C(=O)N2CCCC2)n1
InChIInChI=1S/C20H25N3O2/c1-3-4-11-25-19-8-7-15(2)12-16(19)17-13-21-14-18(22-17)20(24)23-9-5-6-10-23/h7-8,12-14H,3-6,9-11H2,1-2H3
InChIKeyKHGAKBWMERXHEI-UHFFFAOYSA-N
XLogP3.87
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(2-butoxy-5-methylphenyl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone
CID 121499766
[6-(2,3-dimethoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 74239050
[6-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 74232997
6-(2-butoxy-4-fluorophenyl)pyrazine-2-carboxylic acid
CID 77091431
[6-[2-(2-methylpropoxy)phenyl]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 121497470
piperidin-1-yl-[6-(1H-pyrazol-4-yl)pyrazin-2-yl]methanone
CID 74237335
[4-(2-butoxybenzoyl)-1,4-diazepan-1-yl]-(2-butoxyphenyl)methanone
CID 4981271
(4-methylpiperazin-1-yl)-(6-naphthalen-1-ylpyrazin-2-yl)methanone
CID 119060088
[6-(2,3-dimethylphenyl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 50948310
2-(2-butoxy-5-methylphenyl)acetic acid
CID 82051975
piperidin-1-yl-(6-piperidin-1-ylpyrazin-2-yl)methanone
CID 165345728
2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylethanone
CID 61312995

Frequently Asked Questions

What is the IUPAC name of [6-(2-butoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(2-butoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 77087048) is [6-(2-butoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(2-butoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(2-butoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone is CCCCOc1ccc(C)cc1-c1cncc(C(=O)N2CCCC2)n1.
What is the InChIKey of [6-(2-butoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KHGAKBWMERXHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-4-11-25-19-8-7-15(2)12-16(19)17-13-21-14-18(22-17)20(24)23-9-5-6-10-23/h7-8,12-14H,3-6,9-11H2,1-2H3.
What are the key properties of [6-(2-butoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[6-(2-butoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 339.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-butoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 77087048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).