6-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide

C22H28N4O — CID 109152716

IUPAC6-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1ccc(NCCC2=CCCCC2)nc1
InChIInChI=1S/C22H28N4O/c1-26(16-12-19-9-13-23-14-10-19)22(27)20-7-8-21(25-17-20)24-15-11-18-5-3-2-4-6-18/h5,7-10,13-14,17H,2-4,6,11-12,15-16H2,1H3,(H,24,25)
InChIKeyJEPDZHYKFHEDMS-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.09
Rot. Bonds8

About 6-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide

6-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide (PubChem CID 109152716) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 6-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
PubChem CID109152716
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name6-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1ccc(NCCC2=CCCCC2)nc1
InChIInChI=1S/C22H28N4O/c1-26(16-12-19-9-13-23-14-10-19)22(27)20-7-8-21(25-17-20)24-15-11-18-5-3-2-4-6-18/h5,7-10,13-14,17H,2-4,6,11-12,15-16H2,1H3,(H,24,25)
InChIKeyJEPDZHYKFHEDMS-UHFFFAOYSA-N
XLogP4.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109166673
N-methyl-6-(2-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109158205
6-[2-(cyclopenten-1-yl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103844277
N-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109151190
6-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-3-carboxamide
CID 109152727
6-[2-(4-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109158980
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-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109156607
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109152684
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

Frequently Asked Questions

What is the IUPAC name of 6-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide (CID 109152716) is 6-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide is CN(CCc1ccncc1)C(=O)c1ccc(NCCC2=CCCCC2)nc1.
What is the InChIKey of 6-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The InChIKey is JEPDZHYKFHEDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-26(16-12-19-9-13-23-14-10-19)22(27)20-7-8-21(25-17-20)24-15-11-18-5-3-2-4-6-18/h5,7-10,13-14,17H,2-4,6,11-12,15-16H2,1H3,(H,24,25).
What are the key properties of 6-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
6-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109152716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).