N-(imidazo[1,2-b]pyridazin-3-ylmethyl)benzamide

C14H12N4O — CID 66742714

IUPACN-(imidazo[1,2-b]pyridazin-3-ylmethyl)benzamide
SMILESO=C(NCc1cnc2cccnn12)c1ccccc1
InChIInChI=1S/C14H12N4O/c19-14(11-5-2-1-3-6-11)16-10-12-9-15-13-7-4-8-17-18(12)13/h1-9H,10H2,(H,16,19)
InChIKeyJROOHRZKJAPVSC-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.66
Rot. Bonds3

About N-(imidazo[1,2-b]pyridazin-3-ylmethyl)benzamide

N-(imidazo[1,2-b]pyridazin-3-ylmethyl)benzamide (PubChem CID 66742714) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-(imidazo[1,2-b]pyridazin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(imidazo[1,2-b]pyridazin-3-ylmethyl)benzamide
PubChem CID66742714
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC NameN-(imidazo[1,2-b]pyridazin-3-ylmethyl)benzamide
SMILESO=C(NCc1cnc2cccnn12)c1ccccc1
InChIInChI=1S/C14H12N4O/c19-14(11-5-2-1-3-6-11)16-10-12-9-15-13-7-4-8-17-18(12)13/h1-9H,10H2,(H,16,19)
InChIKeyJROOHRZKJAPVSC-UHFFFAOYSA-N
XLogP1.66
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 166325203
N-(furan-2-ylmethyl)-3-imidazo[1,2-b]pyridazin-3-ylbenzamide
CID 90480126
N-(3-hydroxypropyl)-3-(2-imidazo[1,2-b]pyridazin-3-ylethyl)-4-methylbenzamide
CID 118689196
5-phenyl-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 167782694
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
N-(2-cyclohexylethyl)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)benzamide
CID 68794294
N-(pyrazol-1-ylmethyl)benzamide
CID 70404120
N-[(2-chloro-3-pyridinyl)methyl]benzamide
CID 90812537
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 146045634
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 4786534
N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-b]pyridazin-3-ylmethyl)benzamide?
The IUPAC name of N-(imidazo[1,2-b]pyridazin-3-ylmethyl)benzamide (CID 66742714) is N-(imidazo[1,2-b]pyridazin-3-ylmethyl)benzamide.
What is the SMILES notation for N-(imidazo[1,2-b]pyridazin-3-ylmethyl)benzamide?
The canonical SMILES for N-(imidazo[1,2-b]pyridazin-3-ylmethyl)benzamide is O=C(NCc1cnc2cccnn12)c1ccccc1.
What is the InChIKey of N-(imidazo[1,2-b]pyridazin-3-ylmethyl)benzamide?
The InChIKey is JROOHRZKJAPVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c19-14(11-5-2-1-3-6-11)16-10-12-9-15-13-7-4-8-17-18(12)13/h1-9H,10H2,(H,16,19).
What are the key properties of N-(imidazo[1,2-b]pyridazin-3-ylmethyl)benzamide?
N-(imidazo[1,2-b]pyridazin-3-ylmethyl)benzamide has a molecular weight of 252.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-b]pyridazin-3-ylmethyl)benzamide is sourced from PubChem (CID 66742714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).