3-methyl-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]but-3-enamide

C18H26N2O — CID 89205098

IUPAC3-methyl-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]but-3-enamide
SMILESC=C(C)CC(=O)NCC1(c2ccc(C)nc2)CCCCC1
InChIInChI=1S/C18H26N2O/c1-14(2)11-17(21)20-13-18(9-5-4-6-10-18)16-8-7-15(3)19-12-16/h7-8,12H,1,4-6,9-11,13H2,2-3H3,(H,20,21)
InChIKeyVYZPFQPRLOZXCY-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.67
Rot. Bonds5

About 3-methyl-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]but-3-enamide

3-methyl-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]but-3-enamide (PubChem CID 89205098) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-methyl-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]but-3-enamide.

Molecular Properties

Compound Name3-methyl-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]but-3-enamide
PubChem CID89205098
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-methyl-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]but-3-enamide
SMILESC=C(C)CC(=O)NCC1(c2ccc(C)nc2)CCCCC1
InChIInChI=1S/C18H26N2O/c1-14(2)11-17(21)20-13-18(9-5-4-6-10-18)16-8-7-15(3)19-12-16/h7-8,12H,1,4-6,9-11,13H2,2-3H3,(H,20,21)
InChIKeyVYZPFQPRLOZXCY-UHFFFAOYSA-N
XLogP3.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]but-3-enamide?
The IUPAC name of 3-methyl-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]but-3-enamide (CID 89205098) is 3-methyl-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]but-3-enamide.
What is the SMILES notation for 3-methyl-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]but-3-enamide?
The canonical SMILES for 3-methyl-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]but-3-enamide is C=C(C)CC(=O)NCC1(c2ccc(C)nc2)CCCCC1.
What is the InChIKey of 3-methyl-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]but-3-enamide?
The InChIKey is VYZPFQPRLOZXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14(2)11-17(21)20-13-18(9-5-4-6-10-18)16-8-7-15(3)19-12-16/h7-8,12H,1,4-6,9-11,13H2,2-3H3,(H,20,21).
What are the key properties of 3-methyl-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]but-3-enamide?
3-methyl-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]but-3-enamide has a molecular weight of 286.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]but-3-enamide is sourced from PubChem (CID 89205098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).