N-[(3,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide

C18H20N4O4 — CID 87051109

IUPACN-[(3,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
SMILESCCOc1ccc2nc(C(=O)NCc3ccc(OC)c(OC)c3)cn2n1
InChIInChI=1S/C18H20N4O4/c1-4-26-17-8-7-16-20-13(11-22(16)21-17)18(23)19-10-12-5-6-14(24-2)15(9-12)25-3/h5-9,11H,4,10H2,1-3H3,(H,19,23)
InChIKeyJJTFWXPJUSDPDC-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.08
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 87051109) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID87051109
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
SMILESCCOc1ccc2nc(C(=O)NCc3ccc(OC)c(OC)c3)cn2n1
InChIInChI=1S/C18H20N4O4/c1-4-26-17-8-7-16-20-13(11-22(16)21-17)18(23)19-10-12-5-6-14(24-2)15(9-12)25-3/h5-9,11H,4,10H2,1-3H3,(H,19,23)
InChIKeyJJTFWXPJUSDPDC-UHFFFAOYSA-N
XLogP2.08
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 87051090
N-[(2,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 87051100
N-[(3-ethoxyphenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 87051043
6-methoxy-N-[(4-methylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051013
N-[(3,4-dimethoxyphenyl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 42536396
N-[(3-fluorophenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 53166432
6-ethoxy-N-(3-methoxyphenyl)imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051064
N-[2-(azepan-1-yl)ethyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 87051141
6-ethoxy-N-(2-piperidin-1-ylethyl)imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051144
6-chloro-N-[(3,4-dimethylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051214
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51143128
N-[(3-ethoxy-4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 46287283

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide (CID 87051109) is N-[(3,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide is CCOc1ccc2nc(C(=O)NCc3ccc(OC)c(OC)c3)cn2n1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is JJTFWXPJUSDPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-4-26-17-8-7-16-20-13(11-22(16)21-17)18(23)19-10-12-5-6-14(24-2)15(9-12)25-3/h5-9,11H,4,10H2,1-3H3,(H,19,23).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 87051109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).