N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]butanamide

C15H22N4O3 — CID 113043395

IUPACN-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]butanamide
SMILESCCCC(=O)Nc1ccc(N2CCC3(CC2)OCCO3)nn1
InChIInChI=1S/C15H22N4O3/c1-2-3-14(20)16-12-4-5-13(18-17-12)19-8-6-15(7-9-19)21-10-11-22-15/h4-5H,2-3,6-11H2,1H3,(H,16,17,20)
InChIKeyTUSCQWAQKFTDPF-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.56
Rot. Bonds4

About N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]butanamide

N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]butanamide (PubChem CID 113043395) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]butanamide
PubChem CID113043395
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]butanamide
SMILESCCCC(=O)Nc1ccc(N2CCC3(CC2)OCCO3)nn1
InChIInChI=1S/C15H22N4O3/c1-2-3-14(20)16-12-4-5-13(18-17-12)19-8-6-15(7-9-19)21-10-11-22-15/h4-5H,2-3,6-11H2,1H3,(H,16,17,20)
InChIKeyTUSCQWAQKFTDPF-UHFFFAOYSA-N
XLogP1.56
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109116657
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide
CID 113014035
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118140
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109123501
N-(2,4-dimethylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
CID 109123515
methyl 4-[[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carbonyl]amino]benzoate
CID 109123556
N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]pentanamide
CID 113045434
1-butyl-3-(6-morpholin-4-ylpyridazin-3-yl)urea
CID 13157690
N-(5-chloro-2-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
CID 109123538
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propanamide
CID 112984191
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridazine-3-carboxamide
CID 109123532
N-(3,4-difluorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
CID 109123570

Frequently Asked Questions

What is the IUPAC name of N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]butanamide?
The IUPAC name of N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]butanamide (CID 113043395) is N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]butanamide.
What is the SMILES notation for N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]butanamide?
The canonical SMILES for N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]butanamide is CCCC(=O)Nc1ccc(N2CCC3(CC2)OCCO3)nn1.
What is the InChIKey of N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]butanamide?
The InChIKey is TUSCQWAQKFTDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-2-3-14(20)16-12-4-5-13(18-17-12)19-8-6-15(7-9-19)21-10-11-22-15/h4-5H,2-3,6-11H2,1H3,(H,16,17,20).
What are the key properties of N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]butanamide?
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]butanamide has a molecular weight of 306.37 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]butanamide is sourced from PubChem (CID 113043395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).