6-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one

C19H30N4O2 — CID 45249302

IUPAC6-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCC3(CCCN(CC(C)(C)C)C3)C2)ccc1=O
InChIInChI=1S/C19H30N4O2/c1-18(2,3)12-22-10-5-8-19(13-22)9-11-23(14-19)17(25)15-6-7-16(24)21(4)20-15/h6-7H,5,8-14H2,1-4H3
InChIKeyAFCGZXGNMRHQSE-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.75
Rot. Bonds2

About 6-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one

6-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one (PubChem CID 45249302) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 6-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one
PubChem CID45249302
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name6-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCC3(CCCN(CC(C)(C)C)C3)C2)ccc1=O
InChIInChI=1S/C19H30N4O2/c1-18(2,3)12-22-10-5-8-19(13-22)9-11-23(14-19)17(25)15-6-7-16(24)21(4)20-15/h6-7H,5,8-14H2,1-4H3
InChIKeyAFCGZXGNMRHQSE-UHFFFAOYSA-N
XLogP1.75
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one (CID 45249302) is 6-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one is Cn1nc(C(=O)N2CCC3(CCCN(CC(C)(C)C)C3)C2)ccc1=O.
What is the InChIKey of 6-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one?
The InChIKey is AFCGZXGNMRHQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-18(2,3)12-22-10-5-8-19(13-22)9-11-23(14-19)17(25)15-6-7-16(24)21(4)20-15/h6-7H,5,8-14H2,1-4H3.
What are the key properties of 6-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one?
6-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one has a molecular weight of 346.48 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 45249302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).