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

C17H23N5O4 — CID 33255286

IUPAC1-butyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)ccc1=O
InChIInChI=1S/C17H23N5O4/c1-2-3-11-21-13(23)8-7-12(19-21)14(24)20-22-15(25)17(18-16(22)26)9-5-4-6-10-17/h7-8H,2-6,9-11H2,1H3,(H,18,26)(H,20,24)
InChIKeyAZYPOMRFXQIBOK-UHFFFAOYSA-N
MW361.40 g/mol
LogP0.94
Rot. Bonds5

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

1-butyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide (PubChem CID 33255286) has the molecular formula C17H23N5O4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-butyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide
PubChem CID33255286
Molecular FormulaC17H23N5O4
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC Name1-butyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)ccc1=O
InChIInChI=1S/C17H23N5O4/c1-2-3-11-21-13(23)8-7-12(19-21)14(24)20-22-15(25)17(18-16(22)26)9-5-4-6-10-17/h7-8H,2-6,9-11H2,1H3,(H,18,26)(H,20,24)
InChIKeyAZYPOMRFXQIBOK-UHFFFAOYSA-N
XLogP0.94
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-butyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide (CID 33255286) is 1-butyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)ccc1=O.
What is the InChIKey of 1-butyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide?
The InChIKey is AZYPOMRFXQIBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4/c1-2-3-11-21-13(23)8-7-12(19-21)14(24)20-22-15(25)17(18-16(22)26)9-5-4-6-10-17/h7-8H,2-6,9-11H2,1H3,(H,18,26)(H,20,24).
What are the key properties of 1-butyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide?
1-butyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 33255286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).