N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide

C16H15N5O2 — CID 166325203

IUPACN-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)c2cnc3cccnn23)c1
InChIInChI=1S/C16H15N5O2/c1-17-15(22)12-5-2-4-11(8-12)9-19-16(23)13-10-18-14-6-3-7-20-21(13)14/h2-8,10H,9H2,1H3,(H,17,22)(H,19,23)
InChIKeyWJQZNYNZXRSKPM-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.02
Rot. Bonds4

About N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide

N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 166325203) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID166325203
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)c2cnc3cccnn23)c1
InChIInChI=1S/C16H15N5O2/c1-17-15(22)12-5-2-4-11(8-12)9-19-16(23)13-10-18-14-6-3-7-20-21(13)14/h2-8,10H,9H2,1H3,(H,17,22)(H,19,23)
InChIKeyWJQZNYNZXRSKPM-UHFFFAOYSA-N
XLogP1.02
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrazine-2-carboxamide
CID 32916582
N-methyl-3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]benzamide
CID 32919336
N-methyl-3-[[(2-pyridin-3-yloxyacetyl)amino]methyl]benzamide
CID 91828637
N-(imidazo[1,2-b]pyridazin-3-ylmethyl)benzamide
CID 66742714
N-methyl-3-[[[N'-methyl-N-(3-pyrazol-1-ylpropyl)carbamimidoyl]amino]methyl]benzamide
CID 111903715
3-[[(2-methylpyrazole-3-carbonyl)amino]methyl]benzoic acid
CID 60894251
methyl 2-(imidazo[1,2-b]pyridazine-3-carbonylamino)pyridine-4-carboxylate
CID 162628080
1-chloro-N-[[3-(methylcarbamoyl)phenyl]methyl]isoquinoline-3-carboxamide
CID 55669454
3-ethyl-N-methylbenzamide
CID 59115297
3-[[(6-methoxypyrimidin-4-yl)amino]methyl]-N-methylbenzamide
CID 50983438
N-methyl-3-[[[N-methyl-C-(4-pyrimidin-2-ylpiperazin-1-yl)carbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 111207193
N-methyl-3-[[4-(methylamino)butanoylamino]methyl]benzamide
CID 119719954

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 166325203) is N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide is CNC(=O)c1cccc(CNC(=O)c2cnc3cccnn23)c1.
What is the InChIKey of N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is WJQZNYNZXRSKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-17-15(22)12-5-2-4-11(8-12)9-19-16(23)13-10-18-14-6-3-7-20-21(13)14/h2-8,10H,9H2,1H3,(H,17,22)(H,19,23).
What are the key properties of N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide?
N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 166325203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).