N-(4-chlorophenyl)-2,3-dimethylimidazo[1,2-b]pyridazine-6-carboxamide

C15H13ClN4O — CID 163353195

IUPACN-(4-chlorophenyl)-2,3-dimethylimidazo[1,2-b]pyridazine-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3ccc(Cl)cc3)nn2c1C
InChIInChI=1S/C15H13ClN4O/c1-9-10(2)20-14(17-9)8-7-13(19-20)15(21)18-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,18,21)
InChIKeyDWGKJDYQFGDRKJ-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.25
Rot. Bonds2

About N-(4-chlorophenyl)-2,3-dimethylimidazo[1,2-b]pyridazine-6-carboxamide

N-(4-chlorophenyl)-2,3-dimethylimidazo[1,2-b]pyridazine-6-carboxamide (PubChem CID 163353195) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,3-dimethylimidazo[1,2-b]pyridazine-6-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2,3-dimethylimidazo[1,2-b]pyridazine-6-carboxamide
PubChem CID163353195
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC NameN-(4-chlorophenyl)-2,3-dimethylimidazo[1,2-b]pyridazine-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3ccc(Cl)cc3)nn2c1C
InChIInChI=1S/C15H13ClN4O/c1-9-10(2)20-14(17-9)8-7-13(19-20)15(21)18-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,18,21)
InChIKeyDWGKJDYQFGDRKJ-UHFFFAOYSA-N
XLogP3.25
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chloroanilino)-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 41247819
2-chloro-N-(4-chlorophenyl)-4,6-dimethylpyridine-3-carboxamide
CID 4862033
N-(4-chlorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2516944
N-(3-chloro-4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040999
1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 41247979
N-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-4-propan-2-ylbenzamide
CID 110734926
5-chloro-N-(2,6-dimethyl-4-pyridinyl)pyridine-2-carboxamide
CID 167928774
5-amino-N-(4-chlorophenyl)-3-methylpyrazole-1-carboxamide
CID 110463822
2-amino-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793569
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783
4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide
CID 21369168
ethyl 2-[(3,4-dimethylphenyl)carbamoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 3520818

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2,3-dimethylimidazo[1,2-b]pyridazine-6-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2,3-dimethylimidazo[1,2-b]pyridazine-6-carboxamide (CID 163353195) is N-(4-chlorophenyl)-2,3-dimethylimidazo[1,2-b]pyridazine-6-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2,3-dimethylimidazo[1,2-b]pyridazine-6-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2,3-dimethylimidazo[1,2-b]pyridazine-6-carboxamide is Cc1nc2ccc(C(=O)Nc3ccc(Cl)cc3)nn2c1C.
What is the InChIKey of N-(4-chlorophenyl)-2,3-dimethylimidazo[1,2-b]pyridazine-6-carboxamide?
The InChIKey is DWGKJDYQFGDRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-9-10(2)20-14(17-9)8-7-13(19-20)15(21)18-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,18,21).
What are the key properties of N-(4-chlorophenyl)-2,3-dimethylimidazo[1,2-b]pyridazine-6-carboxamide?
N-(4-chlorophenyl)-2,3-dimethylimidazo[1,2-b]pyridazine-6-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2,3-dimethylimidazo[1,2-b]pyridazine-6-carboxamide is sourced from PubChem (CID 163353195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).