2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-phenylpyridine-2,6-dicarboxamide

C21H23N3O2 — CID 109095600

IUPAC2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-phenylpyridine-2,6-dicarboxamide
SMILESO=C(NCCC1=CCCCC1)c1cccc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C21H23N3O2/c25-20(22-15-14-16-8-3-1-4-9-16)18-12-7-13-19(24-18)21(26)23-17-10-5-2-6-11-17/h2,5-8,10-13H,1,3-4,9,14-15H2,(H,22,25)(H,23,26)
InChIKeyMILLDRXSJKLWCL-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.95
Rot. Bonds6

About 2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-phenylpyridine-2,6-dicarboxamide

2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-phenylpyridine-2,6-dicarboxamide (PubChem CID 109095600) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-phenylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-phenylpyridine-2,6-dicarboxamide
PubChem CID109095600
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-phenylpyridine-2,6-dicarboxamide
SMILESO=C(NCCC1=CCCCC1)c1cccc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C21H23N3O2/c25-20(22-15-14-16-8-3-1-4-9-16)18-12-7-13-19(24-18)21(26)23-17-10-5-2-6-11-17/h2,5-8,10-13H,1,3-4,9,14-15H2,(H,22,25)(H,23,26)
InChIKeyMILLDRXSJKLWCL-UHFFFAOYSA-N
XLogP3.95
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.95
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-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2,3-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109095612
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109081989
6-N-tert-butyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide
CID 109095591
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-2-carboxamide
CID 103842433
6-N-cycloheptyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide
CID 109095592
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109095559
4-N-(3-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,4-dicarboxamide
CID 109082107
4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109205598
2-anilino-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109323426
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 874393

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-phenylpyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-phenylpyridine-2,6-dicarboxamide (CID 109095600) is 2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-phenylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-phenylpyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-phenylpyridine-2,6-dicarboxamide is O=C(NCCC1=CCCCC1)c1cccc(C(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-phenylpyridine-2,6-dicarboxamide?
The InChIKey is MILLDRXSJKLWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-20(22-15-14-16-8-3-1-4-9-16)18-12-7-13-19(24-18)21(26)23-17-10-5-2-6-11-17/h2,5-8,10-13H,1,3-4,9,14-15H2,(H,22,25)(H,23,26).
What are the key properties of 2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-phenylpyridine-2,6-dicarboxamide?
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-phenylpyridine-2,6-dicarboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.95, 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-phenylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109095600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).