N-(1-adamantyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide

C19H26N2O2 — CID 108795070

IUPACN-(1-adamantyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
SMILESCc1cc(=O)cc(C)n1CC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H26N2O2/c1-12-3-17(22)4-13(2)21(12)11-18(23)20-19-8-14-5-15(9-19)7-16(6-14)10-19/h3-4,14-16H,5-11H2,1-2H3,(H,20,23)
InChIKeyMSBKOTZRMMXLBL-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.55
Rot. Bonds3

About N-(1-adamantyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide

N-(1-adamantyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide (PubChem CID 108795070) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
PubChem CID108795070
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-(1-adamantyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
SMILESCc1cc(=O)cc(C)n1CC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H26N2O2/c1-12-3-17(22)4-13(2)21(12)11-18(23)20-19-8-14-5-15(9-19)7-16(6-14)10-19/h3-4,14-16H,5-11H2,1-2H3,(H,20,23)
InChIKeyMSBKOTZRMMXLBL-UHFFFAOYSA-N
XLogP2.55
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide (CID 108795070) is N-(1-adamantyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide is Cc1cc(=O)cc(C)n1CC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide?
The InChIKey is MSBKOTZRMMXLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-12-3-17(22)4-13(2)21(12)11-18(23)20-19-8-14-5-15(9-19)7-16(6-14)10-19/h3-4,14-16H,5-11H2,1-2H3,(H,20,23).
What are the key properties of N-(1-adamantyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide?
N-(1-adamantyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide has a molecular weight of 314.43 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 108795070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).