1-(2-methoxyethyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide

C17H23N5O5 — CID 24545813

IUPAC1-(2-methoxyethyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)ccc1=O
InChIInChI=1S/C17H23N5O5/c1-11-5-7-17(8-6-11)15(25)22(16(26)18-17)20-14(24)12-3-4-13(23)21(19-12)9-10-27-2/h3-4,11H,5-10H2,1-2H3,(H,18,26)(H,20,24)
InChIKeyVXAPQRADJWTKIA-UHFFFAOYSA-N
MW377.40 g/mol
LogP0.04
Rot. Bonds5

About 1-(2-methoxyethyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide

1-(2-methoxyethyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide (PubChem CID 24545813) has the molecular formula C17H23N5O5 and a molecular weight of 377.40 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide
PubChem CID24545813
Molecular FormulaC17H23N5O5
Molecular Weight377.40 g/mol
Exact Mass377.17
IUPAC Name1-(2-methoxyethyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)ccc1=O
InChIInChI=1S/C17H23N5O5/c1-11-5-7-17(8-6-11)15(25)22(16(26)18-17)20-14(24)12-3-4-13(23)21(19-12)9-10-27-2/h3-4,11H,5-10H2,1-2H3,(H,18,26)(H,20,24)
InChIKeyVXAPQRADJWTKIA-UHFFFAOYSA-N
XLogP0.04
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide (CID 24545813) is 1-(2-methoxyethyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide is COCCn1nc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide?
The InChIKey is VXAPQRADJWTKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O5/c1-11-5-7-17(8-6-11)15(25)22(16(26)18-17)20-14(24)12-3-4-13(23)21(19-12)9-10-27-2/h3-4,11H,5-10H2,1-2H3,(H,18,26)(H,20,24).
What are the key properties of 1-(2-methoxyethyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide?
1-(2-methoxyethyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 24545813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).