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

C18H19ClN4O3 — CID 109123610

IUPAC[6-(2-chloroanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1ccc(Nc2ccccc2Cl)nn1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H19ClN4O3/c19-13-3-1-2-4-14(13)20-16-6-5-15(21-22-16)17(24)23-9-7-18(8-10-23)25-11-12-26-18/h1-6H,7-12H2,(H,20,22)
InChIKeyCRNABFRTJHUKDI-UHFFFAOYSA-N
MW374.83 g/mol
LogP2.85
Rot. Bonds3

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

[6-(2-chloroanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 109123610) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is [6-(2-chloroanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name[6-(2-chloroanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID109123610
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name[6-(2-chloroanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1ccc(Nc2ccccc2Cl)nn1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H19ClN4O3/c19-13-3-1-2-4-14(13)20-16-6-5-15(21-22-16)17(24)23-9-7-18(8-10-23)25-11-12-26-18/h1-6H,7-12H2,(H,20,22)
InChIKeyCRNABFRTJHUKDI-UHFFFAOYSA-N
XLogP2.85
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111996
[6-(4-chloroanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109123612
[6-(2-chloroanilino)-2-methylpyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109372937
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]methanone
CID 109118019
[6-(4-tert-butylanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109123607
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(furan-2-ylmethylamino)pyridazin-3-yl]methanone
CID 109117379
[6-(2,3-dichloroanilino)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116455
1-[4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117262
1-[4-[6-(2,5-dichloroanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117331
N-(3-chloro-2-methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 17388082
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(pyridazin-3-yl)methanone
CID 57299286
[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

Frequently Asked Questions

What is the IUPAC name of [6-(2-chloroanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of [6-(2-chloroanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 109123610) is [6-(2-chloroanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for [6-(2-chloroanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for [6-(2-chloroanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is O=C(c1ccc(Nc2ccccc2Cl)nn1)N1CCC2(CC1)OCCO2.
What is the InChIKey of [6-(2-chloroanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is CRNABFRTJHUKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c19-13-3-1-2-4-14(13)20-16-6-5-15(21-22-16)17(24)23-9-7-18(8-10-23)25-11-12-26-18/h1-6H,7-12H2,(H,20,22).
What are the key properties of [6-(2-chloroanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
[6-(2-chloroanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 374.83 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-chloroanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 109123610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).