N,N-dibutyl-2-[6-(2,2-dimethylpropanoyl)-3-methoxyimidazo[4,5-c]pyridazin-5-yl]acetamide

C21H33N5O3 — CID 11223407

IUPACN,N-dibutyl-2-[6-(2,2-dimethylpropanoyl)-3-methoxyimidazo[4,5-c]pyridazin-5-yl]acetamide
SMILESCCCCN(CCCC)C(=O)Cn1c(C(=O)C(C)(C)C)nc2nnc(OC)cc21
InChIInChI=1S/C21H33N5O3/c1-7-9-11-25(12-10-8-2)17(27)14-26-15-13-16(29-6)23-24-19(15)22-20(26)18(28)21(3,4)5/h13H,7-12,14H2,1-6H3
InChIKeyUFXQWAILTNEYQO-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.49
Rot. Bonds10

About N,N-dibutyl-2-[6-(2,2-dimethylpropanoyl)-3-methoxyimidazo[4,5-c]pyridazin-5-yl]acetamide

N,N-dibutyl-2-[6-(2,2-dimethylpropanoyl)-3-methoxyimidazo[4,5-c]pyridazin-5-yl]acetamide (PubChem CID 11223407) has the molecular formula C21H33N5O3 and a molecular weight of 403.53 g/mol. Its IUPAC name is N,N-dibutyl-2-[6-(2,2-dimethylpropanoyl)-3-methoxyimidazo[4,5-c]pyridazin-5-yl]acetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-[6-(2,2-dimethylpropanoyl)-3-methoxyimidazo[4,5-c]pyridazin-5-yl]acetamide
PubChem CID11223407
Molecular FormulaC21H33N5O3
Molecular Weight403.53 g/mol
Exact Mass403.26
IUPAC NameN,N-dibutyl-2-[6-(2,2-dimethylpropanoyl)-3-methoxyimidazo[4,5-c]pyridazin-5-yl]acetamide
SMILESCCCCN(CCCC)C(=O)Cn1c(C(=O)C(C)(C)C)nc2nnc(OC)cc21
InChIInChI=1S/C21H33N5O3/c1-7-9-11-25(12-10-8-2)17(27)14-26-15-13-16(29-6)23-24-19(15)22-20(26)18(28)21(3,4)5/h13H,7-12,14H2,1-6H3
InChIKeyUFXQWAILTNEYQO-UHFFFAOYSA-N
XLogP3.49
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-[6-(2,2-dimethylpropanoyl)-3-methoxyimidazo[4,5-c]pyridazin-5-yl]acetamide?
The IUPAC name of N,N-dibutyl-2-[6-(2,2-dimethylpropanoyl)-3-methoxyimidazo[4,5-c]pyridazin-5-yl]acetamide (CID 11223407) is N,N-dibutyl-2-[6-(2,2-dimethylpropanoyl)-3-methoxyimidazo[4,5-c]pyridazin-5-yl]acetamide.
What is the SMILES notation for N,N-dibutyl-2-[6-(2,2-dimethylpropanoyl)-3-methoxyimidazo[4,5-c]pyridazin-5-yl]acetamide?
The canonical SMILES for N,N-dibutyl-2-[6-(2,2-dimethylpropanoyl)-3-methoxyimidazo[4,5-c]pyridazin-5-yl]acetamide is CCCCN(CCCC)C(=O)Cn1c(C(=O)C(C)(C)C)nc2nnc(OC)cc21.
What is the InChIKey of N,N-dibutyl-2-[6-(2,2-dimethylpropanoyl)-3-methoxyimidazo[4,5-c]pyridazin-5-yl]acetamide?
The InChIKey is UFXQWAILTNEYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O3/c1-7-9-11-25(12-10-8-2)17(27)14-26-15-13-16(29-6)23-24-19(15)22-20(26)18(28)21(3,4)5/h13H,7-12,14H2,1-6H3.
What are the key properties of N,N-dibutyl-2-[6-(2,2-dimethylpropanoyl)-3-methoxyimidazo[4,5-c]pyridazin-5-yl]acetamide?
N,N-dibutyl-2-[6-(2,2-dimethylpropanoyl)-3-methoxyimidazo[4,5-c]pyridazin-5-yl]acetamide has a molecular weight of 403.53 g/mol, XLogP of 3.49, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-[6-(2,2-dimethylpropanoyl)-3-methoxyimidazo[4,5-c]pyridazin-5-yl]acetamide is sourced from PubChem (CID 11223407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).