N-[(3-ethoxyphenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide

C17H18N4O3 — CID 87051043

IUPACN-[(3-ethoxyphenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide
SMILESCCOc1cccc(CNC(=O)c2cn3nc(OC)ccc3n2)c1
InChIInChI=1S/C17H18N4O3/c1-3-24-13-6-4-5-12(9-13)10-18-17(22)14-11-21-15(19-14)7-8-16(20-21)23-2/h4-9,11H,3,10H2,1-2H3,(H,18,22)
InChIKeyHVVSJLIDQFRHCX-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.07
Rot. Bonds6

About N-[(3-ethoxyphenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide

N-[(3-ethoxyphenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 87051043) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID87051043
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-[(3-ethoxyphenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide
SMILESCCOc1cccc(CNC(=O)c2cn3nc(OC)ccc3n2)c1
InChIInChI=1S/C17H18N4O3/c1-3-24-13-6-4-5-12(9-13)10-18-17(22)14-11-21-15(19-14)7-8-16(20-21)23-2/h4-9,11H,3,10H2,1-2H3,(H,18,22)
InChIKeyHVVSJLIDQFRHCX-UHFFFAOYSA-N
XLogP2.07
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-fluorophenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 53166432
N-[(3,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 87051109
6-methoxy-N-[(4-methylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051013
N-[(3-chloro-4-fluorophenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 87051090
6-ethoxy-N-(3-methoxyphenyl)imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051064
N-[(3-ethoxyphenyl)methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 87051316
N-[(2,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 87051100
6-[(3-ethoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 75513273
6-ethoxy-N-[(2-fluorophenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051087
6-chloro-N-[(3-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051334
N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 92683249
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide (CID 87051043) is N-[(3-ethoxyphenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide is CCOc1cccc(CNC(=O)c2cn3nc(OC)ccc3n2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is HVVSJLIDQFRHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-3-24-13-6-4-5-12(9-13)10-18-17(22)14-11-21-15(19-14)7-8-16(20-21)23-2/h4-9,11H,3,10H2,1-2H3,(H,18,22).
What are the key properties of N-[(3-ethoxyphenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide?
N-[(3-ethoxyphenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 87051043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).