ethyl 4-(3,5-dimethylanilino)-6-methylpyridazine-3-carboxylate

C16H19N3O2 — CID 126627413

IUPACethyl 4-(3,5-dimethylanilino)-6-methylpyridazine-3-carboxylate
SMILESCCOC(=O)c1nnc(C)cc1Nc1cc(C)cc(C)c1
InChIInChI=1S/C16H19N3O2/c1-5-21-16(20)15-14(9-12(4)18-19-15)17-13-7-10(2)6-11(3)8-13/h6-9H,5H2,1-4H3,(H,17,18)
InChIKeyNTDZPBBJZAEMJJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.32
Rot. Bonds4

About ethyl 4-(3,5-dimethylanilino)-6-methylpyridazine-3-carboxylate

ethyl 4-(3,5-dimethylanilino)-6-methylpyridazine-3-carboxylate (PubChem CID 126627413) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is ethyl 4-(3,5-dimethylanilino)-6-methylpyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,5-dimethylanilino)-6-methylpyridazine-3-carboxylate
PubChem CID126627413
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Nameethyl 4-(3,5-dimethylanilino)-6-methylpyridazine-3-carboxylate
SMILESCCOC(=O)c1nnc(C)cc1Nc1cc(C)cc(C)c1
InChIInChI=1S/C16H19N3O2/c1-5-21-16(20)15-14(9-12(4)18-19-15)17-13-7-10(2)6-11(3)8-13/h6-9H,5H2,1-4H3,(H,17,18)
InChIKeyNTDZPBBJZAEMJJ-UHFFFAOYSA-N
XLogP3.32
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3,5-dimethylanilino)-4-methyl-1,3-oxazole-5-carboxylate
CID 139225271
ethyl 5-(3,5-dimethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79376443
ethyl N-[6-(3,5-dimethylanilino)pyridazin-3-yl]carbamate
CID 113046451
ethyl 5-amino-2-(3-methylanilino)benzoate
CID 61307109
ethyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127759
ethyl 2-(3,5-dimethylanilino)-3,5-dinitrobenzoate
CID 132593370
ethyl 1-(3,5-dimethylphenyl)-4-oxopyridazine-3-carboxylate
CID 63952405
ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate
CID 46859841
diethyl 5-(bromomethyl)pyridine-2,3-dicarboxylate
CID 141448737
ethyl 2-(4-bromo-3-fluoroanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526915
ethyl 4-[(2,8-dimethylquinolin-4-yl)amino]benzoate
CID 715750
ethyl 5-amino-2-(4-ethylanilino)benzoate
CID 63425348

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,5-dimethylanilino)-6-methylpyridazine-3-carboxylate?
The IUPAC name of ethyl 4-(3,5-dimethylanilino)-6-methylpyridazine-3-carboxylate (CID 126627413) is ethyl 4-(3,5-dimethylanilino)-6-methylpyridazine-3-carboxylate.
What is the SMILES notation for ethyl 4-(3,5-dimethylanilino)-6-methylpyridazine-3-carboxylate?
The canonical SMILES for ethyl 4-(3,5-dimethylanilino)-6-methylpyridazine-3-carboxylate is CCOC(=O)c1nnc(C)cc1Nc1cc(C)cc(C)c1.
What is the InChIKey of ethyl 4-(3,5-dimethylanilino)-6-methylpyridazine-3-carboxylate?
The InChIKey is NTDZPBBJZAEMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-5-21-16(20)15-14(9-12(4)18-19-15)17-13-7-10(2)6-11(3)8-13/h6-9H,5H2,1-4H3,(H,17,18).
What are the key properties of ethyl 4-(3,5-dimethylanilino)-6-methylpyridazine-3-carboxylate?
ethyl 4-(3,5-dimethylanilino)-6-methylpyridazine-3-carboxylate has a molecular weight of 285.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,5-dimethylanilino)-6-methylpyridazine-3-carboxylate is sourced from PubChem (CID 126627413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).