N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide

C22H24N4O3 — CID 113051420

IUPACN-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide
SMILESCCN(c1cccc(C)c1)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)nn1
InChIInChI=1S/C22H24N4O3/c1-5-26(17-8-6-7-15(2)13-17)21-12-11-20(24-25-21)23-22(27)16-9-10-18(28-3)19(14-16)29-4/h6-14H,5H2,1-4H3,(H,23,24,27)
InChIKeyIUXYBKQQWKZSLG-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.21
Rot. Bonds7

About N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide

N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide (PubChem CID 113051420) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide
PubChem CID113051420
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide
SMILESCCN(c1cccc(C)c1)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)nn1
InChIInChI=1S/C22H24N4O3/c1-5-26(17-8-6-7-15(2)13-17)21-12-11-20(24-25-21)23-22(27)16-9-10-18(28-3)19(14-16)29-4/h6-14H,5H2,1-4H3,(H,23,24,27)
InChIKeyIUXYBKQQWKZSLG-UHFFFAOYSA-N
XLogP4.21
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113051425
N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109269982
N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 113022970
6-(N-ethyl-3-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120151
N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113022991
N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]ethanesulfonamide
CID 113051444
3,4-dimethoxy-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]benzamide
CID 113026605
N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109318103
methyl 3-[[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129968
N-tert-butyl-6-(N-ethyl-3-methylanilino)pyridazine-3-carboxamide
CID 109124947
3,4-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide;hydrochloride
CID 163326261
N-[4-(N-ethylanilino)phenyl]-3,4-dimethoxybenzamide
CID 112986552

Frequently Asked Questions

What is the IUPAC name of N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide (CID 113051420) is N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide is CCN(c1cccc(C)c1)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)nn1.
What is the InChIKey of N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide?
The InChIKey is IUXYBKQQWKZSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-5-26(17-8-6-7-15(2)13-17)21-12-11-20(24-25-21)23-22(27)16-9-10-18(28-3)19(14-16)29-4/h6-14H,5H2,1-4H3,(H,23,24,27).
What are the key properties of N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide?
N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide has a molecular weight of 392.46 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 113051420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).