1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone

C20H25NO2 — CID 25066817

IUPAC1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone
SMILESCOc1ccc(C2CC2C(=O)C23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C20H25NO2/c1-23-18-3-2-15(11-21-18)16-7-17(16)19(22)20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,11-14,16-17H,4-10H2,1H3
InChIKeySYPTUKPLDUOMNT-UHFFFAOYSA-N
MW311.42 g/mol
LogP3.98
Rot. Bonds4

About 1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone

1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone (PubChem CID 25066817) has the molecular formula C20H25NO2 and a molecular weight of 311.42 g/mol. Its IUPAC name is 1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone.

Molecular Properties

Compound Name1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone
PubChem CID25066817
Molecular FormulaC20H25NO2
Molecular Weight311.42 g/mol
Exact Mass311.19
IUPAC Name1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone
SMILESCOc1ccc(C2CC2C(=O)C23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C20H25NO2/c1-23-18-3-2-15(11-21-18)16-7-17(16)19(22)20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,11-14,16-17H,4-10H2,1H3
InChIKeySYPTUKPLDUOMNT-UHFFFAOYSA-N
XLogP3.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone?
The IUPAC name of 1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone (CID 25066817) is 1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone.
What is the SMILES notation for 1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone?
The canonical SMILES for 1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone is COc1ccc(C2CC2C(=O)C23CC4CC(CC(C4)C2)C3)cn1.
What is the InChIKey of 1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone?
The InChIKey is SYPTUKPLDUOMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-23-18-3-2-15(11-21-18)16-7-17(16)19(22)20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,11-14,16-17H,4-10H2,1H3.
What are the key properties of 1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone?
1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone has a molecular weight of 311.42 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[2-(6-methoxy-3-pyridinyl)cyclopropyl]methanone is sourced from PubChem (CID 25066817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).