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

C24H36N2O2 — CID 66821296

IUPAC2-[1-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide
SMILESCCCCCn1c(C)cc(=O)c(C(N)=O)c1C(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H36N2O2/c1-4-5-6-7-26-15(2)8-20(27)21(23(25)28)22(26)16(3)24-12-17-9-18(13-24)11-19(10-17)14-24/h8,16-19H,4-7,9-14H2,1-3H3,(H2,25,28)
InChIKeyXAPGGNKNEGDJMK-UHFFFAOYSA-N
MW384.56 g/mol
LogP4.77
Rot. Bonds7

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

2-[1-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide (PubChem CID 66821296) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is 2-[1-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide
PubChem CID66821296
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name2-[1-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide
SMILESCCCCCn1c(C)cc(=O)c(C(N)=O)c1C(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H36N2O2/c1-4-5-6-7-26-15(2)8-20(27)21(23(25)28)22(26)16(3)24-12-17-9-18(13-24)11-19(10-17)14-24/h8,16-19H,4-7,9-14H2,1-3H3,(H2,25,28)
InChIKeyXAPGGNKNEGDJMK-UHFFFAOYSA-N
XLogP4.77
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.77
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 2-[1-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide?
The IUPAC name of 2-[1-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide (CID 66821296) is 2-[1-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide is CCCCCn1c(C)cc(=O)c(C(N)=O)c1C(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[1-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide?
The InChIKey is XAPGGNKNEGDJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-4-5-6-7-26-15(2)8-20(27)21(23(25)28)22(26)16(3)24-12-17-9-18(13-24)11-19(10-17)14-24/h8,16-19H,4-7,9-14H2,1-3H3,(H2,25,28).
What are the key properties of 2-[1-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide?
2-[1-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide has a molecular weight of 384.56 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-adamantyl)ethyl]-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide is sourced from PubChem (CID 66821296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).