6-N-cyclohexyl-2-N-prop-2-enylpyridine-2,6-dicarboxamide

C16H21N3O2 — CID 109094007

IUPAC6-N-cyclohexyl-2-N-prop-2-enylpyridine-2,6-dicarboxamide
SMILESC=CCNC(=O)c1cccc(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C16H21N3O2/c1-2-11-17-15(20)13-9-6-10-14(19-13)16(21)18-12-7-4-3-5-8-12/h2,6,9-10,12H,1,3-5,7-8,11H2,(H,17,20)(H,18,21)
InChIKeyCFYPUMHXQXQBBA-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.06
Rot. Bonds5

About 6-N-cyclohexyl-2-N-prop-2-enylpyridine-2,6-dicarboxamide

6-N-cyclohexyl-2-N-prop-2-enylpyridine-2,6-dicarboxamide (PubChem CID 109094007) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-N-cyclohexyl-2-N-prop-2-enylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-cyclohexyl-2-N-prop-2-enylpyridine-2,6-dicarboxamide
PubChem CID109094007
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6-N-cyclohexyl-2-N-prop-2-enylpyridine-2,6-dicarboxamide
SMILESC=CCNC(=O)c1cccc(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C16H21N3O2/c1-2-11-17-15(20)13-9-6-10-14(19-13)16(21)18-12-7-4-3-5-8-12/h2,6,9-10,12H,1,3-5,7-8,11H2,(H,17,20)(H,18,21)
InChIKeyCFYPUMHXQXQBBA-UHFFFAOYSA-N
XLogP2.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.06
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-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096549
4-N-cycloheptyl-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043526
4-N-cycloheptyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079061
2-N-cycloheptyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099249
6-N-cyclohexyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109095286
6-N-cycloheptyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide
CID 109095592
6-N-cyclopentyl-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide
CID 109094939
6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097432
6-(azepan-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 84575175
N-cyclopentyl-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109094934

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclohexyl-2-N-prop-2-enylpyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-cyclohexyl-2-N-prop-2-enylpyridine-2,6-dicarboxamide (CID 109094007) is 6-N-cyclohexyl-2-N-prop-2-enylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-cyclohexyl-2-N-prop-2-enylpyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-cyclohexyl-2-N-prop-2-enylpyridine-2,6-dicarboxamide is C=CCNC(=O)c1cccc(C(=O)NC2CCCCC2)n1.
What is the InChIKey of 6-N-cyclohexyl-2-N-prop-2-enylpyridine-2,6-dicarboxamide?
The InChIKey is CFYPUMHXQXQBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-11-17-15(20)13-9-6-10-14(19-13)16(21)18-12-7-4-3-5-8-12/h2,6,9-10,12H,1,3-5,7-8,11H2,(H,17,20)(H,18,21).
What are the key properties of 6-N-cyclohexyl-2-N-prop-2-enylpyridine-2,6-dicarboxamide?
6-N-cyclohexyl-2-N-prop-2-enylpyridine-2,6-dicarboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclohexyl-2-N-prop-2-enylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109094007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).