N-benzyl-6-chloro-7-methylimidazo[1,2-b]pyridazine-3-carboxamide

C15H13ClN4O — CID 162475361

IUPACN-benzyl-6-chloro-7-methylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cc2ncc(C(=O)NCc3ccccc3)n2nc1Cl
InChIInChI=1S/C15H13ClN4O/c1-10-7-13-17-9-12(20(13)19-14(10)16)15(21)18-8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H,18,21)
InChIKeyAZNSVGWYFYGQME-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.62
Rot. Bonds3

About N-benzyl-6-chloro-7-methylimidazo[1,2-b]pyridazine-3-carboxamide

N-benzyl-6-chloro-7-methylimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 162475361) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is N-benzyl-6-chloro-7-methylimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-chloro-7-methylimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID162475361
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC NameN-benzyl-6-chloro-7-methylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cc2ncc(C(=O)NCc3ccccc3)n2nc1Cl
InChIInChI=1S/C15H13ClN4O/c1-10-7-13-17-9-12(20(13)19-14(10)16)15(21)18-8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H,18,21)
InChIKeyAZNSVGWYFYGQME-UHFFFAOYSA-N
XLogP2.62
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84576023
N-benzyl-2-(5-chloro-2-methylanilino)pyrimidine-5-carboxamide
CID 109255301
N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 166325203
N-benzyl-6-(5-chloro-2-methylanilino)pyridazine-3-carboxamide
CID 109117923
5-amino-N-benzyl-2-methylpyridine-3-carboxamide
CID 54917003
N-benzyl-2,4,5,6-tetrachloropyridine-3-carboxamide
CID 628678
N-[2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-oxoethyl]benzamide
CID 10805246
N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84575392
8-anilino-N-benzyl-7-methoxyimidazo[1,2-b]pyridazine-3-carboxamide
CID 69177201
N-benzyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4866947
N-benzyl-6-(3-chloro-4-methylanilino)pyridazine-3-carboxamide
CID 109117925
5-amino-N-benzyl-1-(2-methylphenyl)triazole-4-carboxamide
CID 17015755

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-7-methylimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-benzyl-6-chloro-7-methylimidazo[1,2-b]pyridazine-3-carboxamide (CID 162475361) is N-benzyl-6-chloro-7-methylimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-chloro-7-methylimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-6-chloro-7-methylimidazo[1,2-b]pyridazine-3-carboxamide is Cc1cc2ncc(C(=O)NCc3ccccc3)n2nc1Cl.
What is the InChIKey of N-benzyl-6-chloro-7-methylimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is AZNSVGWYFYGQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-10-7-13-17-9-12(20(13)19-14(10)16)15(21)18-8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H,18,21).
What are the key properties of N-benzyl-6-chloro-7-methylimidazo[1,2-b]pyridazine-3-carboxamide?
N-benzyl-6-chloro-7-methylimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-chloro-7-methylimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 162475361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).