6-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-3-carboxamide

C18H27N3O — CID 109152727

IUPAC6-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NCCC2=CCCCC2)nc1
InChIInChI=1S/C18H27N3O/c1-3-21(4-2)18(22)16-10-11-17(20-14-16)19-13-12-15-8-6-5-7-9-15/h8,10-11,14H,3-7,9,12-13H2,1-2H3,(H,19,20)
InChIKeyYDOQKNQTMDBJNN-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.87
Rot. Bonds7

About 6-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-3-carboxamide

6-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-3-carboxamide (PubChem CID 109152727) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 6-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-3-carboxamide
PubChem CID109152727
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name6-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NCCC2=CCCCC2)nc1
InChIInChI=1S/C18H27N3O/c1-3-21(4-2)18(22)16-10-11-17(20-14-16)19-13-12-15-8-6-5-7-9-15/h8,10-11,14H,3-7,9,12-13H2,1-2H3,(H,19,20)
InChIKeyYDOQKNQTMDBJNN-UHFFFAOYSA-N
XLogP3.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(cyclopenten-1-yl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103844277
6-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109152716
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109152684
6-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109152689
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109152709
6-[2-(cyclohexen-1-yl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide
CID 109152718
6-[2-(cyclohexen-1-yl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109152703
4-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-2-carboxamide
CID 109205585
6-[2-(dimethylamino)ethylamino]-N,N-diethylpyridine-3-carboxamide
CID 109153766
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-ethylbutanamide
CID 113010230
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109152741
N,N-diethyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160732

Frequently Asked Questions

What is the IUPAC name of 6-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-3-carboxamide?
The IUPAC name of 6-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-3-carboxamide (CID 109152727) is 6-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-3-carboxamide?
The canonical SMILES for 6-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-3-carboxamide is CCN(CC)C(=O)c1ccc(NCCC2=CCCCC2)nc1.
What is the InChIKey of 6-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-3-carboxamide?
The InChIKey is YDOQKNQTMDBJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-3-21(4-2)18(22)16-10-11-17(20-14-16)19-13-12-15-8-6-5-7-9-15/h8,10-11,14H,3-7,9,12-13H2,1-2H3,(H,19,20).
What are the key properties of 6-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-3-carboxamide?
6-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-3-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-3-carboxamide is sourced from PubChem (CID 109152727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).