N-(3-hydroxypropyl)-3-(2-imidazo[1,2-b]pyridazin-3-ylethyl)-4-methylbenzamide

C19H22N4O2 — CID 118689196

IUPACN-(3-hydroxypropyl)-3-(2-imidazo[1,2-b]pyridazin-3-ylethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCO)cc1CCc1cnc2cccnn12
InChIInChI=1S/C19H22N4O2/c1-14-5-6-16(19(25)20-9-3-11-24)12-15(14)7-8-17-13-21-18-4-2-10-22-23(17)18/h2,4-6,10,12-13,24H,3,7-9,11H2,1H3,(H,20,25)
InChIKeyXCKHRPLMWIEZNX-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.94
Rot. Bonds7

About N-(3-hydroxypropyl)-3-(2-imidazo[1,2-b]pyridazin-3-ylethyl)-4-methylbenzamide

N-(3-hydroxypropyl)-3-(2-imidazo[1,2-b]pyridazin-3-ylethyl)-4-methylbenzamide (PubChem CID 118689196) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-3-(2-imidazo[1,2-b]pyridazin-3-ylethyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-3-(2-imidazo[1,2-b]pyridazin-3-ylethyl)-4-methylbenzamide
PubChem CID118689196
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(3-hydroxypropyl)-3-(2-imidazo[1,2-b]pyridazin-3-ylethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCO)cc1CCc1cnc2cccnn12
InChIInChI=1S/C19H22N4O2/c1-14-5-6-16(19(25)20-9-3-11-24)12-15(14)7-8-17-13-21-18-4-2-10-22-23(17)18/h2,4-6,10,12-13,24H,3,7-9,11H2,1H3,(H,20,25)
InChIKeyXCKHRPLMWIEZNX-UHFFFAOYSA-N
XLogP1.94
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-3-(2-imidazo[1,2-b]pyridazin-3-ylethyl)-4-methylbenzamide?
The IUPAC name of N-(3-hydroxypropyl)-3-(2-imidazo[1,2-b]pyridazin-3-ylethyl)-4-methylbenzamide (CID 118689196) is N-(3-hydroxypropyl)-3-(2-imidazo[1,2-b]pyridazin-3-ylethyl)-4-methylbenzamide.
What is the SMILES notation for N-(3-hydroxypropyl)-3-(2-imidazo[1,2-b]pyridazin-3-ylethyl)-4-methylbenzamide?
The canonical SMILES for N-(3-hydroxypropyl)-3-(2-imidazo[1,2-b]pyridazin-3-ylethyl)-4-methylbenzamide is Cc1ccc(C(=O)NCCCO)cc1CCc1cnc2cccnn12.
What is the InChIKey of N-(3-hydroxypropyl)-3-(2-imidazo[1,2-b]pyridazin-3-ylethyl)-4-methylbenzamide?
The InChIKey is XCKHRPLMWIEZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-5-6-16(19(25)20-9-3-11-24)12-15(14)7-8-17-13-21-18-4-2-10-22-23(17)18/h2,4-6,10,12-13,24H,3,7-9,11H2,1H3,(H,20,25).
What are the key properties of N-(3-hydroxypropyl)-3-(2-imidazo[1,2-b]pyridazin-3-ylethyl)-4-methylbenzamide?
N-(3-hydroxypropyl)-3-(2-imidazo[1,2-b]pyridazin-3-ylethyl)-4-methylbenzamide has a molecular weight of 338.41 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-3-(2-imidazo[1,2-b]pyridazin-3-ylethyl)-4-methylbenzamide is sourced from PubChem (CID 118689196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).