N-[2-(cyclohexen-1-yl)ethyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

C24H37N3O2 — CID 26358697

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESCCc1c(C(=O)NCCC2=CCCCC2)c(=O)cc(C)n1CCN1CCCCC1
InChIInChI=1S/C24H37N3O2/c1-3-21-23(24(29)25-13-12-20-10-6-4-7-11-20)22(28)18-19(2)27(21)17-16-26-14-8-5-9-15-26/h10,18H,3-9,11-17H2,1-2H3,(H,25,29)
InChIKeyQPSAHEAMPFGTJK-UHFFFAOYSA-N
MW399.58 g/mol
LogP3.83
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 26358697) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID26358697
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESCCc1c(C(=O)NCCC2=CCCCC2)c(=O)cc(C)n1CCN1CCCCC1
InChIInChI=1S/C24H37N3O2/c1-3-21-23(24(29)25-13-12-20-10-6-4-7-11-20)22(28)18-19(2)27(21)17-16-26-14-8-5-9-15-26/h10,18H,3-9,11-17H2,1-2H3,(H,25,29)
InChIKeyQPSAHEAMPFGTJK-UHFFFAOYSA-N
XLogP3.83
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 53.83
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-ethyl-N-[2-(4-hydroxyphenyl)ethyl]-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 26274394
3-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 109014698
N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
CID 110680939
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109052413
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104787
N-[2-(cyclohexen-1-yl)ethyl]-9-(2-methoxyethoxy)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]oxazepine-10-carboxamide
CID 91912856
2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 874393
ethyl 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 43953955
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109095559
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
CID 55766889
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide
CID 53167250

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (CID 26358697) is N-[2-(cyclohexen-1-yl)ethyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is CCc1c(C(=O)NCCC2=CCCCC2)c(=O)cc(C)n1CCN1CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is QPSAHEAMPFGTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-3-21-23(24(29)25-13-12-20-10-6-4-7-11-20)22(28)18-19(2)27(21)17-16-26-14-8-5-9-15-26/h10,18H,3-9,11-17H2,1-2H3,(H,25,29).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 399.58 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 26358697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).