N-methyl-3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]amino]benzamide

C16H17N7O2 — CID 58243304

IUPACN-methyl-3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]amino]benzamide
SMILESCNC(=O)Nc1cn2nc(Nc3cccc(C(=O)NC)c3)ccc2n1
InChIInChI=1S/C16H17N7O2/c1-17-15(24)10-4-3-5-11(8-10)19-12-6-7-14-20-13(9-23(14)22-12)21-16(25)18-2/h3-9H,1-2H3,(H,17,24)(H,19,22)(H2,18,21,25)
InChIKeyUCQCRVQICGQXIY-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.58
Rot. Bonds4

About N-methyl-3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]amino]benzamide

N-methyl-3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]amino]benzamide (PubChem CID 58243304) has the molecular formula C16H17N7O2 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-methyl-3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]amino]benzamide
PubChem CID58243304
Molecular FormulaC16H17N7O2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC NameN-methyl-3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]amino]benzamide
SMILESCNC(=O)Nc1cn2nc(Nc3cccc(C(=O)NC)c3)ccc2n1
InChIInChI=1S/C16H17N7O2/c1-17-15(24)10-4-3-5-11(8-10)19-12-6-7-14-20-13(9-23(14)22-12)21-16(25)18-2/h3-9H,1-2H3,(H,17,24)(H,19,22)(H2,18,21,25)
InChIKeyUCQCRVQICGQXIY-UHFFFAOYSA-N
XLogP1.58
TPSA112.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-[3-(hydroxymethyl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
CID 58243168
1-[6-[3-(2,3-dihydro-1,3-oxazol-5-yl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
CID 58243105
1-[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
CID 58243292
3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]methoxy]benzoic acid
CID 58243204
1-methyl-3-[6-(4-phenylphenyl)imidazo[1,2-b]pyridazin-2-yl]urea
CID 58243302
3-[[3-[(4-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-methylbenzamide
CID 59339287
1-(6-azidoimidazo[1,2-b]pyridazin-2-yl)-3-methylurea
CID 58243097
1-[6-(3-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-3-methylurea
CID 58243191
3-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]amino]-N-methylbenzamide
CID 67447946
1-[6-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
CID 58243277
3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-N-methylbenzamide
CID 88571946
N-[3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 57386062

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]amino]benzamide?
The IUPAC name of N-methyl-3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]amino]benzamide (CID 58243304) is N-methyl-3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]amino]benzamide is CNC(=O)Nc1cn2nc(Nc3cccc(C(=O)NC)c3)ccc2n1.
What is the InChIKey of N-methyl-3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]amino]benzamide?
The InChIKey is UCQCRVQICGQXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2/c1-17-15(24)10-4-3-5-11(8-10)19-12-6-7-14-20-13(9-23(14)22-12)21-16(25)18-2/h3-9H,1-2H3,(H,17,24)(H,19,22)(H2,18,21,25).
What are the key properties of N-methyl-3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]amino]benzamide?
N-methyl-3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]amino]benzamide has a molecular weight of 339.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]amino]benzamide is sourced from PubChem (CID 58243304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).