6-(6-cyanohexyl)-N,N-diethylpyridine-3-carboxamide

C17H25N3O — CID 10334268

IUPAC6-(6-cyanohexyl)-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(CCCCCCC#N)nc1
InChIInChI=1S/C17H25N3O/c1-3-20(4-2)17(21)15-11-12-16(19-14-15)10-8-6-5-7-9-13-18/h11-12,14H,3-10H2,1-2H3
InChIKeyLSKNOAAGPCXFRG-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.58
Rot. Bonds9

About 6-(6-cyanohexyl)-N,N-diethylpyridine-3-carboxamide

6-(6-cyanohexyl)-N,N-diethylpyridine-3-carboxamide (PubChem CID 10334268) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 6-(6-cyanohexyl)-N,N-diethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(6-cyanohexyl)-N,N-diethylpyridine-3-carboxamide
PubChem CID10334268
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name6-(6-cyanohexyl)-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(CCCCCCC#N)nc1
InChIInChI=1S/C17H25N3O/c1-3-20(4-2)17(21)15-11-12-16(19-14-15)10-8-6-5-7-9-13-18/h11-12,14H,3-10H2,1-2H3
InChIKeyLSKNOAAGPCXFRG-UHFFFAOYSA-N
XLogP3.58
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-6-[2-(2-formamidophenyl)ethyl]pyridine-3-carboxamide
CID 20560117
N,N-bis(2-cyanoethyl)-6-fluoropyridine-3-carboxamide
CID 63979683
N,N-diethyl-6-pyrrol-1-ylpyridine-3-carboxamide
CID 10060343
4-(cyanomethyl)-N,N-diethylbenzamide
CID 82179217
6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 43243478
6-amino-N-ethyl-N-propylpyridine-3-carboxamide
CID 62153905
6-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95402245
4-(4-cyanobutyl)benzoic acid
CID 134098566
N-(cyanomethyl)-N-ethylquinoxaline-6-carboxamide
CID 55118335
N-methoxy-N-methyl-6-propylpyridine-3-carboxamide
CID 118255839
4-[6-(dipropylamino)hexyl]-N,N-diethylbenzamide
CID 58300403
N,N-diethyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160732

Frequently Asked Questions

What is the IUPAC name of 6-(6-cyanohexyl)-N,N-diethylpyridine-3-carboxamide?
The IUPAC name of 6-(6-cyanohexyl)-N,N-diethylpyridine-3-carboxamide (CID 10334268) is 6-(6-cyanohexyl)-N,N-diethylpyridine-3-carboxamide.
What is the SMILES notation for 6-(6-cyanohexyl)-N,N-diethylpyridine-3-carboxamide?
The canonical SMILES for 6-(6-cyanohexyl)-N,N-diethylpyridine-3-carboxamide is CCN(CC)C(=O)c1ccc(CCCCCCC#N)nc1.
What is the InChIKey of 6-(6-cyanohexyl)-N,N-diethylpyridine-3-carboxamide?
The InChIKey is LSKNOAAGPCXFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-20(4-2)17(21)15-11-12-16(19-14-15)10-8-6-5-7-9-13-18/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 6-(6-cyanohexyl)-N,N-diethylpyridine-3-carboxamide?
6-(6-cyanohexyl)-N,N-diethylpyridine-3-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 3.58, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-cyanohexyl)-N,N-diethylpyridine-3-carboxamide is sourced from PubChem (CID 10334268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).