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

C14H17N5O4 — CID 25481899

IUPACN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)ccc1=O
InChIInChI=1S/C14H17N5O4/c1-18-10(20)6-5-9(16-18)11(21)17-19-12(22)14(15-13(19)23)7-3-2-4-8-14/h5-6H,2-4,7-8H2,1H3,(H,15,23)(H,17,21)
InChIKeyMMUXFNRQTFLXQZ-UHFFFAOYSA-N
MW319.32 g/mol
LogP-0.32
Rot. Bonds2

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

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 25481899) has the molecular formula C14H17N5O4 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID25481899
Molecular FormulaC14H17N5O4
Molecular Weight319.32 g/mol
Exact Mass319.13
IUPAC NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)ccc1=O
InChIInChI=1S/C14H17N5O4/c1-18-10(20)6-5-9(16-18)11(21)17-19-12(22)14(15-13(19)23)7-3-2-4-8-14/h5-6H,2-4,7-8H2,1H3,(H,15,23)(H,17,21)
InChIKeyMMUXFNRQTFLXQZ-UHFFFAOYSA-N
XLogP-0.32
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 5-0.32
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 N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 25481899) is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)ccc1=O.
What is the InChIKey of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is MMUXFNRQTFLXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4/c1-18-10(20)6-5-9(16-18)11(21)17-19-12(22)14(15-13(19)23)7-3-2-4-8-14/h5-6H,2-4,7-8H2,1H3,(H,15,23)(H,17,21).
What are the key properties of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 319.32 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 25481899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).