[6-[benzyl(methyl)amino]pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C20H24N4O3 — CID 109118954

IUPAC[6-[benzyl(methyl)amino]pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCN(Cc1ccccc1)c1ccc(C(=O)N2CCC3(CC2)OCCO3)nn1
InChIInChI=1S/C20H24N4O3/c1-23(15-16-5-3-2-4-6-16)18-8-7-17(21-22-18)19(25)24-11-9-20(10-12-24)26-13-14-27-20/h2-8H,9-15H2,1H3
InChIKeyNNIAMCODTROTDK-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.09
Rot. Bonds4

About [6-[benzyl(methyl)amino]pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

[6-[benzyl(methyl)amino]pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 109118954) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is [6-[benzyl(methyl)amino]pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name[6-[benzyl(methyl)amino]pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID109118954
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name[6-[benzyl(methyl)amino]pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCN(Cc1ccccc1)c1ccc(C(=O)N2CCC3(CC2)OCCO3)nn1
InChIInChI=1S/C20H24N4O3/c1-23(15-16-5-3-2-4-6-16)18-8-7-17(21-22-18)19(25)24-11-9-20(10-12-24)26-13-14-27-20/h2-8H,9-15H2,1H3
InChIKeyNNIAMCODTROTDK-UHFFFAOYSA-N
XLogP2.09
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-[benzyl(methyl)amino]pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114629
[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109193808
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]methanone
CID 109122924
[5-(benzylamino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109188006
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]methanone
CID 109118019
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(pyridazin-3-yl)methanone
CID 57299286
N-[(2R)-2-[benzyl(methyl)amino]propyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 95765261
[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 20929909
[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109116657
[6-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343534
[6-(N-methylanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114694
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyltriazol-4-yl)methanone
CID 110691585

Frequently Asked Questions

What is the IUPAC name of [6-[benzyl(methyl)amino]pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of [6-[benzyl(methyl)amino]pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 109118954) is [6-[benzyl(methyl)amino]pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for [6-[benzyl(methyl)amino]pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for [6-[benzyl(methyl)amino]pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is CN(Cc1ccccc1)c1ccc(C(=O)N2CCC3(CC2)OCCO3)nn1.
What is the InChIKey of [6-[benzyl(methyl)amino]pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is NNIAMCODTROTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-23(15-16-5-3-2-4-6-16)18-8-7-17(21-22-18)19(25)24-11-9-20(10-12-24)26-13-14-27-20/h2-8H,9-15H2,1H3.
What are the key properties of [6-[benzyl(methyl)amino]pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
[6-[benzyl(methyl)amino]pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 368.44 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[benzyl(methyl)amino]pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 109118954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).