1-adamantyl-(6-methyl-3-pyridinyl)methanone

C17H21NO — CID 55166588

IUPAC1-adamantyl-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)C23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C17H21NO/c1-11-2-3-15(10-18-11)16(19)17-7-12-4-13(8-17)6-14(5-12)9-17/h2-3,10,12-14H,4-9H2,1H3
InChIKeyJGVVIAYNBHWNAB-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.79
Rot. Bonds2

About 1-adamantyl-(6-methyl-3-pyridinyl)methanone

1-adamantyl-(6-methyl-3-pyridinyl)methanone (PubChem CID 55166588) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-adamantyl-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name1-adamantyl-(6-methyl-3-pyridinyl)methanone
PubChem CID55166588
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-adamantyl-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)C23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C17H21NO/c1-11-2-3-15(10-18-11)16(19)17-7-12-4-13(8-17)6-14(5-12)9-17/h2-3,10,12-14H,4-9H2,1H3
InChIKeyJGVVIAYNBHWNAB-UHFFFAOYSA-N
XLogP3.79
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of 1-adamantyl-(6-methyl-3-pyridinyl)methanone (CID 55166588) is 1-adamantyl-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for 1-adamantyl-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for 1-adamantyl-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)C23CC4CC(CC(C4)C2)C3)cn1.
What is the InChIKey of 1-adamantyl-(6-methyl-3-pyridinyl)methanone?
The InChIKey is JGVVIAYNBHWNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-11-2-3-15(10-18-11)16(19)17-7-12-4-13(8-17)6-14(5-12)9-17/h2-3,10,12-14H,4-9H2,1H3.
What are the key properties of 1-adamantyl-(6-methyl-3-pyridinyl)methanone?
1-adamantyl-(6-methyl-3-pyridinyl)methanone has a molecular weight of 255.36 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 55166588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).