N-(6-butoxy-5-methyl-3-pyridinyl)-1-phenylcyclopentane-1-carboxamide

C22H28N2O2 — CID 100769199

IUPACN-(6-butoxy-5-methyl-3-pyridinyl)-1-phenylcyclopentane-1-carboxamide
SMILESCCCCOc1ncc(NC(=O)C2(c3ccccc3)CCCC2)cc1C
InChIInChI=1S/C22H28N2O2/c1-3-4-14-26-20-17(2)15-19(16-23-20)24-21(25)22(12-8-9-13-22)18-10-6-5-7-11-18/h5-7,10-11,15-16H,3-4,8-9,12-14H2,1-2H3,(H,24,25)
InChIKeyADFUFPNPPUMIPV-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.02
Rot. Bonds7

About N-(6-butoxy-5-methyl-3-pyridinyl)-1-phenylcyclopentane-1-carboxamide

N-(6-butoxy-5-methyl-3-pyridinyl)-1-phenylcyclopentane-1-carboxamide (PubChem CID 100769199) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(6-butoxy-5-methyl-3-pyridinyl)-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(6-butoxy-5-methyl-3-pyridinyl)-1-phenylcyclopentane-1-carboxamide
PubChem CID100769199
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-(6-butoxy-5-methyl-3-pyridinyl)-1-phenylcyclopentane-1-carboxamide
SMILESCCCCOc1ncc(NC(=O)C2(c3ccccc3)CCCC2)cc1C
InChIInChI=1S/C22H28N2O2/c1-3-4-14-26-20-17(2)15-19(16-23-20)24-21(25)22(12-8-9-13-22)18-10-6-5-7-11-18/h5-7,10-11,15-16H,3-4,8-9,12-14H2,1-2H3,(H,24,25)
InChIKeyADFUFPNPPUMIPV-UHFFFAOYSA-N
XLogP5.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.02
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-(6-butoxy-5-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100769468
N-(6-ethoxy-5-methyl-3-pyridinyl)-1-phenylcyclohexane-1-carboxamide
CID 100770531
N-(6-butoxy-5-methyl-3-pyridinyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 100769324
N-(4-butoxy-3,5-dimethylphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100669904
1-(2-chlorophenyl)-N-(5-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100770147
N-(5-methyl-6-propoxy-3-pyridinyl)-1-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 100770671
N-(6-butoxy-5-methyl-3-pyridinyl)-1-(2,4-dichlorophenyl)cyclohexane-1-carboxamide
CID 100771758
1-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]cyclohexane-1-carboxamide
CID 100771355
1-(4-chlorophenyl)-N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]cyclohexane-1-carboxamide
CID 100771359
N-(6-butoxy-5-methyl-3-pyridinyl)-1-ethoxycycloheptane-1-carboxamide
CID 100777054
N-(3-methyl-4-propoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658553
1-methyl-N-(5-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100773790

Frequently Asked Questions

What is the IUPAC name of N-(6-butoxy-5-methyl-3-pyridinyl)-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-(6-butoxy-5-methyl-3-pyridinyl)-1-phenylcyclopentane-1-carboxamide (CID 100769199) is N-(6-butoxy-5-methyl-3-pyridinyl)-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(6-butoxy-5-methyl-3-pyridinyl)-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-(6-butoxy-5-methyl-3-pyridinyl)-1-phenylcyclopentane-1-carboxamide is CCCCOc1ncc(NC(=O)C2(c3ccccc3)CCCC2)cc1C.
What is the InChIKey of N-(6-butoxy-5-methyl-3-pyridinyl)-1-phenylcyclopentane-1-carboxamide?
The InChIKey is ADFUFPNPPUMIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-3-4-14-26-20-17(2)15-19(16-23-20)24-21(25)22(12-8-9-13-22)18-10-6-5-7-11-18/h5-7,10-11,15-16H,3-4,8-9,12-14H2,1-2H3,(H,24,25).
What are the key properties of N-(6-butoxy-5-methyl-3-pyridinyl)-1-phenylcyclopentane-1-carboxamide?
N-(6-butoxy-5-methyl-3-pyridinyl)-1-phenylcyclopentane-1-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butoxy-5-methyl-3-pyridinyl)-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 100769199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).