N-(2-cyclohexylethyl)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)benzamide

C22H24N4O2 — CID 68794294

IUPACN-(2-cyclohexylethyl)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)benzamide
SMILESO=C(NCCC1CCCCC1)c1ccc(C(=O)c2cnc3cccnn23)cc1
InChIInChI=1S/C22H24N4O2/c27-21(19-15-24-20-7-4-13-25-26(19)20)17-8-10-18(11-9-17)22(28)23-14-12-16-5-2-1-3-6-16/h4,7-11,13,15-16H,1-3,5-6,12,14H2,(H,23,28)
InChIKeyZDYQGVHQFAPKCY-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.66
Rot. Bonds6

About N-(2-cyclohexylethyl)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)benzamide

N-(2-cyclohexylethyl)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)benzamide (PubChem CID 68794294) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)benzamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)benzamide
PubChem CID68794294
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(2-cyclohexylethyl)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)benzamide
SMILESO=C(NCCC1CCCCC1)c1ccc(C(=O)c2cnc3cccnn23)cc1
InChIInChI=1S/C22H24N4O2/c27-21(19-15-24-20-7-4-13-25-26(19)20)17-8-10-18(11-9-17)22(28)23-14-12-16-5-2-1-3-6-16/h4,7-11,13,15-16H,1-3,5-6,12,14H2,(H,23,28)
InChIKeyZDYQGVHQFAPKCY-UHFFFAOYSA-N
XLogP3.66
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-chloroimidazo[1,2-b]pyridazine-3-carbonyl)-N-(2-cyclohexylethyl)benzamide
CID 91280073
N-(4-cyclohexylbutyl)-4-(pyridine-3-carbonyl)benzamide
CID 102121917
4-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524562
N-(2-cyclohexylethyl)-3-hydroxypyridine-2-carboxamide
CID 54861320
N-(2-cyclopentylethyl)-4-iodobenzamide
CID 60732288
N-(2-cyclohexylethyl)-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)-3-methylbenzamide
CID 90775221
3-amino-N-(2-cyclohexylethyl)-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)benzamide
CID 91140271
N-(cyclohexylmethyl)-N-(cyclopropylmethyl)-4-(imidazo[1,2-a]pyridine-3-carbonyl)benzamide
CID 163772430
N-(2-cyclohexylethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 60916634
N-(2-cyclopentylethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62180220
N-(2-cyclohexylethyl)-4-(propylamino)benzamide
CID 62180221
2-amino-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 62161813

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)benzamide?
The IUPAC name of N-(2-cyclohexylethyl)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)benzamide (CID 68794294) is N-(2-cyclohexylethyl)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)benzamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)benzamide?
The canonical SMILES for N-(2-cyclohexylethyl)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)benzamide is O=C(NCCC1CCCCC1)c1ccc(C(=O)c2cnc3cccnn23)cc1.
What is the InChIKey of N-(2-cyclohexylethyl)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)benzamide?
The InChIKey is ZDYQGVHQFAPKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-21(19-15-24-20-7-4-13-25-26(19)20)17-8-10-18(11-9-17)22(28)23-14-12-16-5-2-1-3-6-16/h4,7-11,13,15-16H,1-3,5-6,12,14H2,(H,23,28).
What are the key properties of N-(2-cyclohexylethyl)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)benzamide?
N-(2-cyclohexylethyl)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)benzamide is sourced from PubChem (CID 68794294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).