2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid

C14H18N4O4 — CID 130449647

IUPAC2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid
SMILESCn1nc(N2CCC3(CCN(C(=O)O)CC3)C2=O)ccc1=O
InChIInChI=1S/C14H18N4O4/c1-16-11(19)3-2-10(15-16)18-9-6-14(12(18)20)4-7-17(8-5-14)13(21)22/h2-3H,4-9H2,1H3,(H,21,22)
InChIKeyQPVXRGRTGJIOGQ-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.28
Rot. Bonds1

About 2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid

2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid (PubChem CID 130449647) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid
PubChem CID130449647
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid
SMILESCn1nc(N2CCC3(CCN(C(=O)O)CC3)C2=O)ccc1=O
InChIInChI=1S/C14H18N4O4/c1-16-11(19)3-2-10(15-16)18-9-6-14(12(18)20)4-7-17(8-5-14)13(21)22/h2-3H,4-9H2,1H3,(H,21,22)
InChIKeyQPVXRGRTGJIOGQ-UHFFFAOYSA-N
XLogP0.28
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid (CID 130449647) is 2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid is Cn1nc(N2CCC3(CCN(C(=O)O)CC3)C2=O)ccc1=O.
What is the InChIKey of 2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is QPVXRGRTGJIOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c1-16-11(19)3-2-10(15-16)18-9-6-14(12(18)20)4-7-17(8-5-14)13(21)22/h2-3H,4-9H2,1H3,(H,21,22).
What are the key properties of 2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid?
2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 306.32 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 130449647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).