N-[2-(cyclohexen-1-yl)ethyl]-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide

C20H28N4O3 — CID 109113646

IUPACN-[2-(cyclohexen-1-yl)ethyl]-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(N2CCC3(CC2)OCCO3)nn1
InChIInChI=1S/C20H28N4O3/c25-19(21-11-8-16-4-2-1-3-5-16)17-6-7-18(23-22-17)24-12-9-20(10-13-24)26-14-15-27-20/h4,6-7H,1-3,5,8-15H2,(H,21,25)
InChIKeyBZDOCIKIBQVBGQ-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.44
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide (PubChem CID 109113646) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
PubChem CID109113646
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(N2CCC3(CC2)OCCO3)nn1
InChIInChI=1S/C20H28N4O3/c25-19(21-11-8-16-4-2-1-3-5-16)17-6-7-18(23-22-17)24-12-9-20(10-13-24)26-14-15-27-20/h4,6-7H,1-3,5,8-15H2,(H,21,25)
InChIKeyBZDOCIKIBQVBGQ-UHFFFAOYSA-N
XLogP2.44
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109113643
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109123501
N-[2-(cyclohexen-1-yl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide
CID 109082072
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118140
N-[2-(cyclohexen-1-yl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 46375087
N-[2-(cyclohexen-1-yl)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide
CID 109113696
N-[2-(cyclohexen-1-yl)ethyl]-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 46375075
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109095559
5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
CID 109183656
N-(2,4-dimethylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
CID 109123515
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 50771431
N-(5-chloro-2-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
CID 109123538

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide (CID 109113646) is N-[2-(cyclohexen-1-yl)ethyl]-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide is O=C(NCCC1=CCCCC1)c1ccc(N2CCC3(CC2)OCCO3)nn1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide?
The InChIKey is BZDOCIKIBQVBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c25-19(21-11-8-16-4-2-1-3-5-16)17-6-7-18(23-22-17)24-12-9-20(10-13-24)26-14-15-27-20/h4,6-7H,1-3,5,8-15H2,(H,21,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109113646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).