N-benzyl-N-octylpyridine-2-carboxamide

C21H28N2O — CID 42778827

IUPACN-benzyl-N-octylpyridine-2-carboxamide
SMILESCCCCCCCCN(Cc1ccccc1)C(=O)c1ccccn1
InChIInChI=1S/C21H28N2O/c1-2-3-4-5-6-12-17-23(18-19-13-8-7-9-14-19)21(24)20-15-10-11-16-22-20/h7-11,13-16H,2-6,12,17-18H2,1H3
InChIKeyXZFHHDLGRITGLG-UHFFFAOYSA-N
MW324.47 g/mol
LogP5.08
Rot. Bonds10

About N-benzyl-N-octylpyridine-2-carboxamide

N-benzyl-N-octylpyridine-2-carboxamide (PubChem CID 42778827) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-benzyl-N-octylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-octylpyridine-2-carboxamide
PubChem CID42778827
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-benzyl-N-octylpyridine-2-carboxamide
SMILESCCCCCCCCN(Cc1ccccc1)C(=O)c1ccccn1
InChIInChI=1S/C21H28N2O/c1-2-3-4-5-6-12-17-23(18-19-13-8-7-9-14-19)21(24)20-15-10-11-16-22-20/h7-11,13-16H,2-6,12,17-18H2,1H3
InChIKeyXZFHHDLGRITGLG-UHFFFAOYSA-N
XLogP5.08
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-butylthiadiazole-4-carboxamide
CID 42789403
N-butyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 78883116
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CID 68872277
2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide
CID 4094249
N-benzyl-2-(dimethylamino)-N-dodecylacetamide
CID 172759301
N-benzyl-N-pentyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 90120721
N-benzyl-N-dodecyl-2-methylprop-2-enamide
CID 141486609
2-[[benzyl(pentyl)carbamoyl]amino]acetic acid
CID 70441420
N-benzyl-N-pentylprop-2-enamide
CID 176825792
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098082
N-benzyl-N-ethyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109306804

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-octylpyridine-2-carboxamide?
The IUPAC name of N-benzyl-N-octylpyridine-2-carboxamide (CID 42778827) is N-benzyl-N-octylpyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-octylpyridine-2-carboxamide?
The canonical SMILES for N-benzyl-N-octylpyridine-2-carboxamide is CCCCCCCCN(Cc1ccccc1)C(=O)c1ccccn1.
What is the InChIKey of N-benzyl-N-octylpyridine-2-carboxamide?
The InChIKey is XZFHHDLGRITGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-2-3-4-5-6-12-17-23(18-19-13-8-7-9-14-19)21(24)20-15-10-11-16-22-20/h7-11,13-16H,2-6,12,17-18H2,1H3.
What are the key properties of N-benzyl-N-octylpyridine-2-carboxamide?
N-benzyl-N-octylpyridine-2-carboxamide has a molecular weight of 324.47 g/mol, XLogP of 5.08, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-octylpyridine-2-carboxamide is sourced from PubChem (CID 42778827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).