N-[2-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide

C24H36N2O2 — CID 66821295

IUPACN-[2-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide
SMILESCCCCCn1cc(C(=O)NCCC23CC4CC(CC(C4)C2)C3)c(=O)cc1C
InChIInChI=1S/C24H36N2O2/c1-3-4-5-8-26-16-21(22(27)9-17(26)2)23(28)25-7-6-24-13-18-10-19(14-24)12-20(11-18)15-24/h9,16,18-20H,3-8,10-15H2,1-2H3,(H,25,28)
InChIKeyIUTKMZVBQIEOHU-UHFFFAOYSA-N
MW384.56 g/mol
LogP4.68
Rot. Bonds8

About N-[2-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide

N-[2-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide (PubChem CID 66821295) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide
PubChem CID66821295
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC NameN-[2-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide
SMILESCCCCCn1cc(C(=O)NCCC23CC4CC(CC(C4)C2)C3)c(=O)cc1C
InChIInChI=1S/C24H36N2O2/c1-3-4-5-8-26-16-21(22(27)9-17(26)2)23(28)25-7-6-24-13-18-10-19(14-24)12-20(11-18)15-24/h9,16,18-20H,3-8,10-15H2,1-2H3,(H,25,28)
InChIKeyIUTKMZVBQIEOHU-UHFFFAOYSA-N
XLogP4.68
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide (CID 66821295) is N-[2-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide is CCCCCn1cc(C(=O)NCCC23CC4CC(CC(C4)C2)C3)c(=O)cc1C.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide?
The InChIKey is IUTKMZVBQIEOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-3-4-5-8-26-16-21(22(27)9-17(26)2)23(28)25-7-6-24-13-18-10-19(14-24)12-20(11-18)15-24/h9,16,18-20H,3-8,10-15H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide?
N-[2-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide has a molecular weight of 384.56 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide is sourced from PubChem (CID 66821295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).