6-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide

C21H22N4O2 — CID 109127582

IUPAC6-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(Nc3cc(C)ccc3C)nn2)cc1
InChIInChI=1S/C21H22N4O2/c1-4-27-17-9-7-16(8-10-17)22-21(26)18-11-12-20(25-24-18)23-19-13-14(2)5-6-15(19)3/h5-13H,4H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyVXDGPULICAQZCH-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.49
Rot. Bonds6

About 6-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide

6-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide (PubChem CID 109127582) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide
PubChem CID109127582
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name6-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(Nc3cc(C)ccc3C)nn2)cc1
InChIInChI=1S/C21H22N4O2/c1-4-27-17-9-7-16(8-10-17)22-21(26)18-11-12-20(25-24-18)23-19-13-14(2)5-6-15(19)3/h5-13H,4H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyVXDGPULICAQZCH-UHFFFAOYSA-N
XLogP4.49
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335728
2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109314853
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129382
6-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129383
6-(2-ethoxyanilino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109127101
4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049620
6-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide
CID 109129535
N-(2,5-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109356887
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113046299
N-(3-acetylphenyl)-6-(2,5-dimethylanilino)pyridazine-3-carboxamide
CID 109127587
methyl 3-[[6-(2,5-dimethylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109127592
4-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109219771

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide (CID 109127582) is 6-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide is CCOc1ccc(NC(=O)c2ccc(Nc3cc(C)ccc3C)nn2)cc1.
What is the InChIKey of 6-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide?
The InChIKey is VXDGPULICAQZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-4-27-17-9-7-16(8-10-17)22-21(26)18-11-12-20(25-24-18)23-19-13-14(2)5-6-15(19)3/h5-13H,4H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 6-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide?
6-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109127582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).