1-adamantyl-(3-methoxypyrazin-2-yl)methanone

C16H20N2O2 — CID 104514904

IUPAC1-adamantyl-(3-methoxypyrazin-2-yl)methanone
SMILESCOc1nccnc1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H20N2O2/c1-20-15-13(17-2-3-18-15)14(19)16-7-10-4-11(8-16)6-12(5-10)9-16/h2-3,10-12H,4-9H2,1H3
InChIKeyPBYMVXZEUCAIRJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.88
Rot. Bonds3

About 1-adamantyl-(3-methoxypyrazin-2-yl)methanone

1-adamantyl-(3-methoxypyrazin-2-yl)methanone (PubChem CID 104514904) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-adamantyl-(3-methoxypyrazin-2-yl)methanone.

Molecular Properties

Compound Name1-adamantyl-(3-methoxypyrazin-2-yl)methanone
PubChem CID104514904
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-adamantyl-(3-methoxypyrazin-2-yl)methanone
SMILESCOc1nccnc1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H20N2O2/c1-20-15-13(17-2-3-18-15)14(19)16-7-10-4-11(8-16)6-12(5-10)9-16/h2-3,10-12H,4-9H2,1H3
InChIKeyPBYMVXZEUCAIRJ-UHFFFAOYSA-N
XLogP2.88
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(3-methoxypyrazin-2-yl)methanone?
The IUPAC name of 1-adamantyl-(3-methoxypyrazin-2-yl)methanone (CID 104514904) is 1-adamantyl-(3-methoxypyrazin-2-yl)methanone.
What is the SMILES notation for 1-adamantyl-(3-methoxypyrazin-2-yl)methanone?
The canonical SMILES for 1-adamantyl-(3-methoxypyrazin-2-yl)methanone is COc1nccnc1C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-(3-methoxypyrazin-2-yl)methanone?
The InChIKey is PBYMVXZEUCAIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-20-15-13(17-2-3-18-15)14(19)16-7-10-4-11(8-16)6-12(5-10)9-16/h2-3,10-12H,4-9H2,1H3.
What are the key properties of 1-adamantyl-(3-methoxypyrazin-2-yl)methanone?
1-adamantyl-(3-methoxypyrazin-2-yl)methanone has a molecular weight of 272.35 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(3-methoxypyrazin-2-yl)methanone is sourced from PubChem (CID 104514904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).