2-(1-adamantyl)-N-pyridin-3-ylacetamide

C17H22N2O — CID 2959211

IUPAC2-(1-adamantyl)-N-pyridin-3-ylacetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccnc1
InChIInChI=1S/C17H22N2O/c20-16(19-15-2-1-3-18-11-15)10-17-7-12-4-13(8-17)6-14(5-12)9-17/h1-3,11-14H,4-10H2,(H,19,20)
InChIKeyFTIQBIWISBUJTM-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.63
Rot. Bonds3

About 2-(1-adamantyl)-N-pyridin-3-ylacetamide

2-(1-adamantyl)-N-pyridin-3-ylacetamide (PubChem CID 2959211) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-pyridin-3-ylacetamide
PubChem CID2959211
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(1-adamantyl)-N-pyridin-3-ylacetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccnc1
InChIInChI=1S/C17H22N2O/c20-16(19-15-2-1-3-18-11-15)10-17-7-12-4-13(8-17)6-14(5-12)9-17/h1-3,11-14H,4-10H2,(H,19,20)
InChIKeyFTIQBIWISBUJTM-UHFFFAOYSA-N
XLogP3.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(1-adamantyl)-N-pyridin-3-ylacetamide (CID 2959211) is 2-(1-adamantyl)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(1-adamantyl)-N-pyridin-3-ylacetamide is O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccnc1.
What is the InChIKey of 2-(1-adamantyl)-N-pyridin-3-ylacetamide?
The InChIKey is FTIQBIWISBUJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c20-16(19-15-2-1-3-18-11-15)10-17-7-12-4-13(8-17)6-14(5-12)9-17/h1-3,11-14H,4-10H2,(H,19,20).
What are the key properties of 2-(1-adamantyl)-N-pyridin-3-ylacetamide?
2-(1-adamantyl)-N-pyridin-3-ylacetamide has a molecular weight of 270.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 2959211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).