N-benzyl-6-chloro-N-ethylimidazo[1,2-b]pyridazine-2-carboxamide

C16H15ClN4O — CID 87051180

IUPACN-benzyl-6-chloro-N-ethylimidazo[1,2-b]pyridazine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cn2nc(Cl)ccc2n1
InChIInChI=1S/C16H15ClN4O/c1-2-20(10-12-6-4-3-5-7-12)16(22)13-11-21-15(18-13)9-8-14(17)19-21/h3-9,11H,2,10H2,1H3
InChIKeyHVIAZHKTESGNPB-UHFFFAOYSA-N
MW314.78 g/mol
LogP3.05
Rot. Bonds4

About N-benzyl-6-chloro-N-ethylimidazo[1,2-b]pyridazine-2-carboxamide

N-benzyl-6-chloro-N-ethylimidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 87051180) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is N-benzyl-6-chloro-N-ethylimidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-chloro-N-ethylimidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID87051180
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC NameN-benzyl-6-chloro-N-ethylimidazo[1,2-b]pyridazine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cn2nc(Cl)ccc2n1
InChIInChI=1S/C16H15ClN4O/c1-2-20(10-12-6-4-3-5-7-12)16(22)13-11-21-15(18-13)9-8-14(17)19-21/h3-9,11H,2,10H2,1H3
InChIKeyHVIAZHKTESGNPB-UHFFFAOYSA-N
XLogP3.05
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-chloro-N-ethylpyridazine-3-carboxamide
CID 60859356
5-amino-N-benzyl-1-tert-butyl-N-ethylpyrazole-3-carboxamide
CID 82188785
N-benzyl-N-ethyl-2-methyltriazole-4-carboxamide
CID 110691383
N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide
CID 45285247
N-benzyl-N-ethyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
CID 110681550
N-benzyl-2-(2-chloroanilino)-N-ethyl-6-methylpyrimidine-4-carboxamide
CID 109329583
N-benzyl-2-[(4-chlorophenyl)methylamino]-N-ethyl-6-methylpyrimidine-4-carboxamide
CID 109328957
N-benzyl-2,5-dichloro-N-ethyl-4,6-dimethylpyridine-3-carboxamide
CID 5026450
3-[benzyl(ethyl)carbamoyl]benzoic acid
CID 43452784
4-amino-N-benzyl-3,5-dichloro-N-ethylbenzamide
CID 82812598
tert-butyl-(6-chloroimidazo[1,2-b]pyridazin-2-yl)carbamic acid
CID 174214091
N-benzyl-6-chloro-N-propylpyrazine-2-carboxamide
CID 103186970

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-N-ethylimidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of N-benzyl-6-chloro-N-ethylimidazo[1,2-b]pyridazine-2-carboxamide (CID 87051180) is N-benzyl-6-chloro-N-ethylimidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for N-benzyl-6-chloro-N-ethylimidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for N-benzyl-6-chloro-N-ethylimidazo[1,2-b]pyridazine-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1cn2nc(Cl)ccc2n1.
What is the InChIKey of N-benzyl-6-chloro-N-ethylimidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is HVIAZHKTESGNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-2-20(10-12-6-4-3-5-7-12)16(22)13-11-21-15(18-13)9-8-14(17)19-21/h3-9,11H,2,10H2,1H3.
What are the key properties of N-benzyl-6-chloro-N-ethylimidazo[1,2-b]pyridazine-2-carboxamide?
N-benzyl-6-chloro-N-ethylimidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 314.78 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-chloro-N-ethylimidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 87051180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).