4-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-2-carboxamide

C18H27N3O — CID 109205585

IUPAC4-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(NCCC2=CCCCC2)ccn1
InChIInChI=1S/C18H27N3O/c1-3-21(4-2)18(22)17-14-16(11-13-20-17)19-12-10-15-8-6-5-7-9-15/h8,11,13-14H,3-7,9-10,12H2,1-2H3,(H,19,20)
InChIKeyAOHNOQDZYMFUOX-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.87
Rot. Bonds7

About 4-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-2-carboxamide

4-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-2-carboxamide (PubChem CID 109205585) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-2-carboxamide
PubChem CID109205585
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name4-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(NCCC2=CCCCC2)ccn1
InChIInChI=1S/C18H27N3O/c1-3-21(4-2)18(22)17-14-16(11-13-20-17)19-12-10-15-8-6-5-7-9-15/h8,11,13-14H,3-7,9-10,12H2,1-2H3,(H,19,20)
InChIKeyAOHNOQDZYMFUOX-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

4-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109205591
4-[2-(cyclohexen-1-yl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109202082
4-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopentylpyridine-2-carboxamide
CID 109203991
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109205598
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109205458
N-(4-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205612
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide
CID 79386430
N-(3-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205611
6-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-3-carboxamide
CID 109152727
N,N-diethyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 114694391
4-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109205625

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-2-carboxamide (CID 109205585) is 4-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-2-carboxamide is CCN(CC)C(=O)c1cc(NCCC2=CCCCC2)ccn1.
What is the InChIKey of 4-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-2-carboxamide?
The InChIKey is AOHNOQDZYMFUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-3-21(4-2)18(22)17-14-16(11-13-20-17)19-12-10-15-8-6-5-7-9-15/h8,11,13-14H,3-7,9-10,12H2,1-2H3,(H,19,20).
What are the key properties of 4-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-2-carboxamide?
4-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-2-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 4-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-2-carboxamide is sourced from PubChem (CID 109205585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).