1-cyclohexyl-5-N-(3-imidazol-1-ylpropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide

C23H33N5O3 — CID 56860107

IUPAC1-cyclohexyl-5-N-(3-imidazol-1-ylpropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCC(C)CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCCCn2ccnc2)c1=O
InChIInChI=1S/C23H33N5O3/c1-17(2)13-26-23(31)20-15-28(18-7-4-3-5-8-18)14-19(21(20)29)22(30)25-9-6-11-27-12-10-24-16-27/h10,12,14-18H,3-9,11,13H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyIMPMOSXKNXUTDB-UHFFFAOYSA-N
MW427.55 g/mol
LogP2.76
Rot. Bonds9

About 1-cyclohexyl-5-N-(3-imidazol-1-ylpropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide

1-cyclohexyl-5-N-(3-imidazol-1-ylpropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide (PubChem CID 56860107) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is 1-cyclohexyl-5-N-(3-imidazol-1-ylpropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-cyclohexyl-5-N-(3-imidazol-1-ylpropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
PubChem CID56860107
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC Name1-cyclohexyl-5-N-(3-imidazol-1-ylpropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCC(C)CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCCCn2ccnc2)c1=O
InChIInChI=1S/C23H33N5O3/c1-17(2)13-26-23(31)20-15-28(18-7-4-3-5-8-18)14-19(21(20)29)22(30)25-9-6-11-27-12-10-24-16-27/h10,12,14-18H,3-9,11,13H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyIMPMOSXKNXUTDB-UHFFFAOYSA-N
XLogP2.76
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 1-cyclohexyl-5-N-(3-imidazol-1-ylpropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 1-cyclohexyl-5-N-(3-imidazol-1-ylpropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide (CID 56860107) is 1-cyclohexyl-5-N-(3-imidazol-1-ylpropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-cyclohexyl-5-N-(3-imidazol-1-ylpropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 1-cyclohexyl-5-N-(3-imidazol-1-ylpropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide is CC(C)CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCCCn2ccnc2)c1=O.
What is the InChIKey of 1-cyclohexyl-5-N-(3-imidazol-1-ylpropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is IMPMOSXKNXUTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-17(2)13-26-23(31)20-15-28(18-7-4-3-5-8-18)14-19(21(20)29)22(30)25-9-6-11-27-12-10-24-16-27/h10,12,14-18H,3-9,11,13H2,1-2H3,(H,25,30)(H,26,31).
What are the key properties of 1-cyclohexyl-5-N-(3-imidazol-1-ylpropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
1-cyclohexyl-5-N-(3-imidazol-1-ylpropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 427.55 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-N-(3-imidazol-1-ylpropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 56860107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).