2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2,3-dimethylphenyl)pyridine-2,6-dicarboxamide

C23H27N3O2 — CID 109095612

IUPAC2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2,3-dimethylphenyl)pyridine-2,6-dicarboxamide
SMILESCc1cccc(NC(=O)c2cccc(C(=O)NCCC3=CCCCC3)n2)c1C
InChIInChI=1S/C23H27N3O2/c1-16-8-6-11-19(17(16)2)26-23(28)21-13-7-12-20(25-21)22(27)24-15-14-18-9-4-3-5-10-18/h6-9,11-13H,3-5,10,14-15H2,1-2H3,(H,24,27)(H,26,28)
InChIKeyYJFZVIJESKRDOW-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.57
Rot. Bonds6

About 2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2,3-dimethylphenyl)pyridine-2,6-dicarboxamide

2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2,3-dimethylphenyl)pyridine-2,6-dicarboxamide (PubChem CID 109095612) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2,3-dimethylphenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2,3-dimethylphenyl)pyridine-2,6-dicarboxamide
PubChem CID109095612
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2,3-dimethylphenyl)pyridine-2,6-dicarboxamide
SMILESCc1cccc(NC(=O)c2cccc(C(=O)NCCC3=CCCCC3)n2)c1C
InChIInChI=1S/C23H27N3O2/c1-16-8-6-11-19(17(16)2)26-23(28)21-13-7-12-20(25-21)22(27)24-15-14-18-9-4-3-5-10-18/h6-9,11-13H,3-5,10,14-15H2,1-2H3,(H,24,27)(H,26,28)
InChIKeyYJFZVIJESKRDOW-UHFFFAOYSA-N
XLogP4.57
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109095616
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109299391
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-phenylpyridine-2,6-dicarboxamide
CID 109095600
N-[2-(cyclohexen-1-yl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109275443
6-N-tert-butyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide
CID 109095591
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108959365
6-N-(2,3-dimethylphenyl)-2-N-[2-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 109098597
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109132821
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-2-carboxamide
CID 103842433
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435209
6-N-cycloheptyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide
CID 109095592
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109364575

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2,3-dimethylphenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2,3-dimethylphenyl)pyridine-2,6-dicarboxamide (CID 109095612) is 2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2,3-dimethylphenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2,3-dimethylphenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2,3-dimethylphenyl)pyridine-2,6-dicarboxamide is Cc1cccc(NC(=O)c2cccc(C(=O)NCCC3=CCCCC3)n2)c1C.
What is the InChIKey of 2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2,3-dimethylphenyl)pyridine-2,6-dicarboxamide?
The InChIKey is YJFZVIJESKRDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-8-6-11-19(17(16)2)26-23(28)21-13-7-12-20(25-21)22(27)24-15-14-18-9-4-3-5-10-18/h6-9,11-13H,3-5,10,14-15H2,1-2H3,(H,24,27)(H,26,28).
What are the key properties of 2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2,3-dimethylphenyl)pyridine-2,6-dicarboxamide?
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2,3-dimethylphenyl)pyridine-2,6-dicarboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2,3-dimethylphenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109095612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).