N-(4-cyclohexylbutyl)-4-(pyridine-3-carbonyl)benzamide

C23H28N2O2 — CID 102121917

IUPACN-(4-cyclohexylbutyl)-4-(pyridine-3-carbonyl)benzamide
SMILESO=C(NCCCCC1CCCCC1)c1ccc(C(=O)c2cccnc2)cc1
InChIInChI=1S/C23H28N2O2/c26-22(21-10-6-15-24-17-21)19-11-13-20(14-12-19)23(27)25-16-5-4-9-18-7-2-1-3-8-18/h6,10-15,17-18H,1-5,7-9,16H2,(H,25,27)
InChIKeyNODQXLBKVGPUHK-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.79
Rot. Bonds8

About N-(4-cyclohexylbutyl)-4-(pyridine-3-carbonyl)benzamide

N-(4-cyclohexylbutyl)-4-(pyridine-3-carbonyl)benzamide (PubChem CID 102121917) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(4-cyclohexylbutyl)-4-(pyridine-3-carbonyl)benzamide.

Molecular Properties

Compound NameN-(4-cyclohexylbutyl)-4-(pyridine-3-carbonyl)benzamide
PubChem CID102121917
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-(4-cyclohexylbutyl)-4-(pyridine-3-carbonyl)benzamide
SMILESO=C(NCCCCC1CCCCC1)c1ccc(C(=O)c2cccnc2)cc1
InChIInChI=1S/C23H28N2O2/c26-22(21-10-6-15-24-17-21)19-11-13-20(14-12-19)23(27)25-16-5-4-9-18-7-2-1-3-8-18/h6,10-15,17-18H,1-5,7-9,16H2,(H,25,27)
InChIKeyNODQXLBKVGPUHK-UHFFFAOYSA-N
XLogP4.79
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.79
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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Related Compounds

N-(4-cyclopentylbutyl)-2-pyridin-3-ylacetamide
CID 71993774
N-[3-(cyclopentanecarbonylamino)propyl]pyridine-3-carboxamide
CID 108926695
N-[5-[cyclohexyl(methyl)amino]pentyl]pyridine-3-carboxamide
CID 110442853
N-(3-cyclopentylpropyl)-4-iodobenzamide
CID 106012290
N-[2-(cyclopentylamino)ethyl]pyridine-3-carboxamide
CID 3267981
N-(2-cyclohexylethyl)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)benzamide
CID 68794294
4-(chloromethyl)-N-(3-cyclopentylpropyl)benzamide
CID 106009628
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47076419
4-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524562
1-(3-cyclopentylpropyl)-3-(pyridin-3-ylmethyl)urea
CID 86992722
N-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide
CID 38336531

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylbutyl)-4-(pyridine-3-carbonyl)benzamide?
The IUPAC name of N-(4-cyclohexylbutyl)-4-(pyridine-3-carbonyl)benzamide (CID 102121917) is N-(4-cyclohexylbutyl)-4-(pyridine-3-carbonyl)benzamide.
What is the SMILES notation for N-(4-cyclohexylbutyl)-4-(pyridine-3-carbonyl)benzamide?
The canonical SMILES for N-(4-cyclohexylbutyl)-4-(pyridine-3-carbonyl)benzamide is O=C(NCCCCC1CCCCC1)c1ccc(C(=O)c2cccnc2)cc1.
What is the InChIKey of N-(4-cyclohexylbutyl)-4-(pyridine-3-carbonyl)benzamide?
The InChIKey is NODQXLBKVGPUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-22(21-10-6-15-24-17-21)19-11-13-20(14-12-19)23(27)25-16-5-4-9-18-7-2-1-3-8-18/h6,10-15,17-18H,1-5,7-9,16H2,(H,25,27).
What are the key properties of N-(4-cyclohexylbutyl)-4-(pyridine-3-carbonyl)benzamide?
N-(4-cyclohexylbutyl)-4-(pyridine-3-carbonyl)benzamide has a molecular weight of 364.49 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylbutyl)-4-(pyridine-3-carbonyl)benzamide is sourced from PubChem (CID 102121917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).