N-[2-(3-methylimidazo[1,2-b]pyridazin-6-yl)phenyl]propanamide

C16H16N4O — CID 156503174

IUPACN-[2-(3-methylimidazo[1,2-b]pyridazin-6-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1-c1ccc2ncc(C)n2n1
InChIInChI=1S/C16H16N4O/c1-3-16(21)18-13-7-5-4-6-12(13)14-8-9-15-17-10-11(2)20(15)19-14/h4-10H,3H2,1-2H3,(H,18,21)
InChIKeyGMEAVFFXGGJDPM-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.05
Rot. Bonds3

About N-[2-(3-methylimidazo[1,2-b]pyridazin-6-yl)phenyl]propanamide

N-[2-(3-methylimidazo[1,2-b]pyridazin-6-yl)phenyl]propanamide (PubChem CID 156503174) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[2-(3-methylimidazo[1,2-b]pyridazin-6-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(3-methylimidazo[1,2-b]pyridazin-6-yl)phenyl]propanamide
PubChem CID156503174
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[2-(3-methylimidazo[1,2-b]pyridazin-6-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1-c1ccc2ncc(C)n2n1
InChIInChI=1S/C16H16N4O/c1-3-16(21)18-13-7-5-4-6-12(13)14-8-9-15-17-10-11(2)20(15)19-14/h4-10H,3H2,1-2H3,(H,18,21)
InChIKeyGMEAVFFXGGJDPM-UHFFFAOYSA-N
XLogP3.05
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylimidazo[1,2-b]pyridazin-6-yl)phenyl]propanamide?
The IUPAC name of N-[2-(3-methylimidazo[1,2-b]pyridazin-6-yl)phenyl]propanamide (CID 156503174) is N-[2-(3-methylimidazo[1,2-b]pyridazin-6-yl)phenyl]propanamide.
What is the SMILES notation for N-[2-(3-methylimidazo[1,2-b]pyridazin-6-yl)phenyl]propanamide?
The canonical SMILES for N-[2-(3-methylimidazo[1,2-b]pyridazin-6-yl)phenyl]propanamide is CCC(=O)Nc1ccccc1-c1ccc2ncc(C)n2n1.
What is the InChIKey of N-[2-(3-methylimidazo[1,2-b]pyridazin-6-yl)phenyl]propanamide?
The InChIKey is GMEAVFFXGGJDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-3-16(21)18-13-7-5-4-6-12(13)14-8-9-15-17-10-11(2)20(15)19-14/h4-10H,3H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(3-methylimidazo[1,2-b]pyridazin-6-yl)phenyl]propanamide?
N-[2-(3-methylimidazo[1,2-b]pyridazin-6-yl)phenyl]propanamide has a molecular weight of 280.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylimidazo[1,2-b]pyridazin-6-yl)phenyl]propanamide is sourced from PubChem (CID 156503174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).