N-[6-(4-ethoxyanilino)pyridazin-3-yl]-3-methylbenzamide

C20H20N4O2 — CID 113048466

IUPACN-[6-(4-ethoxyanilino)pyridazin-3-yl]-3-methylbenzamide
SMILESCCOc1ccc(Nc2ccc(NC(=O)c3cccc(C)c3)nn2)cc1
InChIInChI=1S/C20H20N4O2/c1-3-26-17-9-7-16(8-10-17)21-18-11-12-19(24-23-18)22-20(25)15-6-4-5-14(2)13-15/h4-13H,3H2,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyDXOFQGCEJNORGA-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.18
Rot. Bonds6

About N-[6-(4-ethoxyanilino)pyridazin-3-yl]-3-methylbenzamide

N-[6-(4-ethoxyanilino)pyridazin-3-yl]-3-methylbenzamide (PubChem CID 113048466) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[6-(4-ethoxyanilino)pyridazin-3-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[6-(4-ethoxyanilino)pyridazin-3-yl]-3-methylbenzamide
PubChem CID113048466
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[6-(4-ethoxyanilino)pyridazin-3-yl]-3-methylbenzamide
SMILESCCOc1ccc(Nc2ccc(NC(=O)c3cccc(C)c3)nn2)cc1
InChIInChI=1S/C20H20N4O2/c1-3-26-17-9-7-16(8-10-17)21-18-11-12-19(24-23-18)22-20(25)15-6-4-5-14(2)13-15/h4-13H,3H2,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyDXOFQGCEJNORGA-UHFFFAOYSA-N
XLogP4.18
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056979
ethyl 4-[[6-[(3-methylbenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113036371
1-N-(4-ethoxyphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109057672
N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2-methylpropanamide
CID 113048454
N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113048460
3-N-(3,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057223
N-[5-(4-ethoxyanilino)-2-pyridinyl]benzamide
CID 113034337
3-chloro-N-[6-(3-methylanilino)pyridazin-3-yl]benzamide
CID 113045730
N-[3-(4-ethoxyanilino)-3-oxopropyl]-3-methylbenzamide
CID 17191376
6-(4-ethoxyanilino)-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 109129289
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113046357

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-ethoxyanilino)pyridazin-3-yl]-3-methylbenzamide?
The IUPAC name of N-[6-(4-ethoxyanilino)pyridazin-3-yl]-3-methylbenzamide (CID 113048466) is N-[6-(4-ethoxyanilino)pyridazin-3-yl]-3-methylbenzamide.
What is the SMILES notation for N-[6-(4-ethoxyanilino)pyridazin-3-yl]-3-methylbenzamide?
The canonical SMILES for N-[6-(4-ethoxyanilino)pyridazin-3-yl]-3-methylbenzamide is CCOc1ccc(Nc2ccc(NC(=O)c3cccc(C)c3)nn2)cc1.
What is the InChIKey of N-[6-(4-ethoxyanilino)pyridazin-3-yl]-3-methylbenzamide?
The InChIKey is DXOFQGCEJNORGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-3-26-17-9-7-16(8-10-17)21-18-11-12-19(24-23-18)22-20(25)15-6-4-5-14(2)13-15/h4-13H,3H2,1-2H3,(H,21,23)(H,22,24,25).
What are the key properties of N-[6-(4-ethoxyanilino)pyridazin-3-yl]-3-methylbenzamide?
N-[6-(4-ethoxyanilino)pyridazin-3-yl]-3-methylbenzamide has a molecular weight of 348.41 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-ethoxyanilino)pyridazin-3-yl]-3-methylbenzamide is sourced from PubChem (CID 113048466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).