methyl 6-(3-anilinoanilino)pyridazine-3-carboxylate

C18H16N4O2 — CID 47053095

IUPACmethyl 6-(3-anilinoanilino)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(Nc2cccc(Nc3ccccc3)c2)nn1
InChIInChI=1S/C18H16N4O2/c1-24-18(23)16-10-11-17(22-21-16)20-15-9-5-8-14(12-15)19-13-6-3-2-4-7-13/h2-12,19H,1H3,(H,20,22)
InChIKeyUPWTULCTTUNGIO-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.75
Rot. Bonds5

About methyl 6-(3-anilinoanilino)pyridazine-3-carboxylate

methyl 6-(3-anilinoanilino)pyridazine-3-carboxylate (PubChem CID 47053095) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is methyl 6-(3-anilinoanilino)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-anilinoanilino)pyridazine-3-carboxylate
PubChem CID47053095
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Namemethyl 6-(3-anilinoanilino)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(Nc2cccc(Nc3ccccc3)c2)nn1
InChIInChI=1S/C18H16N4O2/c1-24-18(23)16-10-11-17(22-21-16)20-15-9-5-8-14(12-15)19-13-6-3-2-4-7-13/h2-12,19H,1H3,(H,20,22)
InChIKeyUPWTULCTTUNGIO-UHFFFAOYSA-N
XLogP3.75
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[6-(phenylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109126698
methyl 6-[3-(2-aminoethoxy)anilino]pyridazine-3-carboxylate
CID 63121112
methyl 3-[[6-(3-acetylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129789
6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126645
methyl 3-[[6-(diethylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109124468
methyl 3-[[6-[(4-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128785
methyl 3-[[6-(4-chloroanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109128748
methyl 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridazine-3-carboxylate
CID 167970549
methyl 3-[[6-(dipropylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109126263
N-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109117932
methyl 3-[[6-(2-methylpropylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109111297
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-anilinoanilino)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(3-anilinoanilino)pyridazine-3-carboxylate (CID 47053095) is methyl 6-(3-anilinoanilino)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(3-anilinoanilino)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(3-anilinoanilino)pyridazine-3-carboxylate is COC(=O)c1ccc(Nc2cccc(Nc3ccccc3)c2)nn1.
What is the InChIKey of methyl 6-(3-anilinoanilino)pyridazine-3-carboxylate?
The InChIKey is UPWTULCTTUNGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-24-18(23)16-10-11-17(22-21-16)20-15-9-5-8-14(12-15)19-13-6-3-2-4-7-13/h2-12,19H,1H3,(H,20,22).
What are the key properties of methyl 6-(3-anilinoanilino)pyridazine-3-carboxylate?
methyl 6-(3-anilinoanilino)pyridazine-3-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-anilinoanilino)pyridazine-3-carboxylate is sourced from PubChem (CID 47053095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).