N-[2-(cyclohexen-1-yl)ethyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide

C17H23N3O2 — CID 122278560

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(C2CC2)ccc1=O)NCCC1=CCCCC1
InChIInChI=1S/C17H23N3O2/c21-16(18-11-10-13-4-2-1-3-5-13)12-20-17(22)9-8-15(19-20)14-6-7-14/h4,8-9,14H,1-3,5-7,10-12H2,(H,18,21)
InChIKeyMJURHVMBNKKXGV-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.13
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide (PubChem CID 122278560) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide
PubChem CID122278560
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(C2CC2)ccc1=O)NCCC1=CCCCC1
InChIInChI=1S/C17H23N3O2/c21-16(18-11-10-13-4-2-1-3-5-13)12-20-17(22)9-8-15(19-20)14-6-7-14/h4,8-9,14H,1-3,5-7,10-12H2,(H,18,21)
InChIKeyMJURHVMBNKKXGV-UHFFFAOYSA-N
XLogP2.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.13
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

N-(3-Methylbutyl)-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-YL)acetamide
CID 47004347
N-Cyclohexyl-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-YL)acetamide
CID 75465686
N-Cyclopentyl-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[C]pyridazin-2-YL}acetamide
CID 75465719
N-Cyclopropyl-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-YL)acetamide
CID 75465729
N-cycloheptyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
CID 55876198
N-cyclooctyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
CID 71890699
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[6-oxo-3-(trifluoromethyl)-1,6-dihydropyridazin-1-yl]propanamide
CID 145875385
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 17494226
N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 29261484
1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-6-oxopyridazine-3-carboxamide
CID 29261545
N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 31327718
N-cyclopropyl-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 52898970

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide (CID 122278560) is N-[2-(cyclohexen-1-yl)ethyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide is O=C(Cn1nc(C2CC2)ccc1=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide?
The InChIKey is MJURHVMBNKKXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-16(18-11-10-13-4-2-1-3-5-13)12-20-17(22)9-8-15(19-20)14-6-7-14/h4,8-9,14H,1-3,5-7,10-12H2,(H,18,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide has a molecular weight of 301.39 g/mol, XLogP of 2.13, 6 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-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 122278560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).