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

C18H25N5O4 — CID 31202206

IUPAC1-butyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)ccc1=O
InChIInChI=1S/C18H25N5O4/c1-3-4-11-22-14(24)6-5-13(20-22)15(25)21-23-16(26)18(19-17(23)27)9-7-12(2)8-10-18/h5-6,12H,3-4,7-11H2,1-2H3,(H,19,27)(H,21,25)
InChIKeyNFZHJLPWVIKYTR-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.19
Rot. Bonds5

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

1-butyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide (PubChem CID 31202206) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-butyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide
PubChem CID31202206
Molecular FormulaC18H25N5O4
Molecular Weight375.43 g/mol
Exact Mass375.19
IUPAC Name1-butyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)ccc1=O
InChIInChI=1S/C18H25N5O4/c1-3-4-11-22-14(24)6-5-13(20-22)15(25)21-23-16(26)18(19-17(23)27)9-7-12(2)8-10-18/h5-6,12H,3-4,7-11H2,1-2H3,(H,19,27)(H,21,25)
InChIKeyNFZHJLPWVIKYTR-UHFFFAOYSA-N
XLogP1.19
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.19
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-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide (CID 31202206) is 1-butyl-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-butyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)ccc1=O.
What is the InChIKey of 1-butyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide?
The InChIKey is NFZHJLPWVIKYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4/c1-3-4-11-22-14(24)6-5-13(20-22)15(25)21-23-16(26)18(19-17(23)27)9-7-12(2)8-10-18/h5-6,12H,3-4,7-11H2,1-2H3,(H,19,27)(H,21,25).
What are the key properties of 1-butyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide?
1-butyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 31202206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).