1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]methanone

C20H24N4O3 — CID 109118019

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]methanone
SMILESCc1ccccc1CNc1ccc(C(=O)N2CCC3(CC2)OCCO3)nn1
InChIInChI=1S/C20H24N4O3/c1-15-4-2-3-5-16(15)14-21-18-7-6-17(22-23-18)19(25)24-10-8-20(9-11-24)26-12-13-27-20/h2-7H,8-14H2,1H3,(H,21,23)
InChIKeyQMRHXLUMRZHGTP-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.38
Rot. Bonds4

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]methanone (PubChem CID 109118019) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]methanone
PubChem CID109118019
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]methanone
SMILESCc1ccccc1CNc1ccc(C(=O)N2CCC3(CC2)OCCO3)nn1
InChIInChI=1S/C20H24N4O3/c1-15-4-2-3-5-16(15)14-21-18-7-6-17(22-23-18)19(25)24-10-8-20(9-11-24)26-12-13-27-20/h2-7H,8-14H2,1H3,(H,21,23)
InChIKeyQMRHXLUMRZHGTP-UHFFFAOYSA-N
XLogP2.38
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(2-methylphenyl)methylamino]-4-pyridinyl]methanone
CID 109169691
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(furan-2-ylmethylamino)pyridazin-3-yl]methanone
CID 109117379
[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113327
[6-(2-chloroanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109123610
6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid
CID 54944511
[6-(4-tert-butylanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109123607
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118140
[6-(4-chloroanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109123612
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 112858912
[6-[benzyl(methyl)amino]pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109118954
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(2-ethyl-6-methylanilino)-2-methylpyrimidin-4-yl]methanone
CID 109372931
1-[4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117262

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]methanone (CID 109118019) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]methanone is Cc1ccccc1CNc1ccc(C(=O)N2CCC3(CC2)OCCO3)nn1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]methanone?
The InChIKey is QMRHXLUMRZHGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-15-4-2-3-5-16(15)14-21-18-7-6-17(22-23-18)19(25)24-10-8-20(9-11-24)26-12-13-27-20/h2-7H,8-14H2,1H3,(H,21,23).
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]methanone has a molecular weight of 368.44 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]methanone is sourced from PubChem (CID 109118019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).