methyl 3-[[6-(phenylcarbamoyl)pyridazin-3-yl]amino]benzoate

C19H16N4O3 — CID 109126698

IUPACmethyl 3-[[6-(phenylcarbamoyl)pyridazin-3-yl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2ccc(C(=O)Nc3ccccc3)nn2)c1
InChIInChI=1S/C19H16N4O3/c1-26-19(25)13-6-5-9-15(12-13)20-17-11-10-16(22-23-17)18(24)21-14-7-3-2-4-8-14/h2-12H,1H3,(H,20,23)(H,21,24)
InChIKeyGLMYFGDUQBAWIY-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.26
Rot. Bonds5

About methyl 3-[[6-(phenylcarbamoyl)pyridazin-3-yl]amino]benzoate

methyl 3-[[6-(phenylcarbamoyl)pyridazin-3-yl]amino]benzoate (PubChem CID 109126698) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is methyl 3-[[6-(phenylcarbamoyl)pyridazin-3-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[6-(phenylcarbamoyl)pyridazin-3-yl]amino]benzoate
PubChem CID109126698
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Namemethyl 3-[[6-(phenylcarbamoyl)pyridazin-3-yl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2ccc(C(=O)Nc3ccccc3)nn2)c1
InChIInChI=1S/C19H16N4O3/c1-26-19(25)13-6-5-9-15(12-13)20-17-11-10-16(22-23-17)18(24)21-14-7-3-2-4-8-14/h2-12H,1H3,(H,20,23)(H,21,24)
InChIKeyGLMYFGDUQBAWIY-UHFFFAOYSA-N
XLogP3.26
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[6-[(4-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128785
methyl 3-[[6-(3-acetylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129789
methyl 3-[[6-(4-chloroanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109128748
methyl 3-[[6-[(3,4-difluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109129957
methyl 3-[[6-[(2,4-dimethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127560
6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126645
methyl 3-[[6-(phenylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109355850
methyl 3-[[6-[(2-chlorophenyl)methylcarbamoyl]pyridazin-3-yl]amino]benzoate
CID 109119781
N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
CID 109129787
methyl 3-[[6-(phenylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109197014
6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129785
methyl 3-[[6-(2-methylpropylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109111297

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(phenylcarbamoyl)pyridazin-3-yl]amino]benzoate?
The IUPAC name of methyl 3-[[6-(phenylcarbamoyl)pyridazin-3-yl]amino]benzoate (CID 109126698) is methyl 3-[[6-(phenylcarbamoyl)pyridazin-3-yl]amino]benzoate.
What is the SMILES notation for methyl 3-[[6-(phenylcarbamoyl)pyridazin-3-yl]amino]benzoate?
The canonical SMILES for methyl 3-[[6-(phenylcarbamoyl)pyridazin-3-yl]amino]benzoate is COC(=O)c1cccc(Nc2ccc(C(=O)Nc3ccccc3)nn2)c1.
What is the InChIKey of methyl 3-[[6-(phenylcarbamoyl)pyridazin-3-yl]amino]benzoate?
The InChIKey is GLMYFGDUQBAWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-26-19(25)13-6-5-9-15(12-13)20-17-11-10-16(22-23-17)18(24)21-14-7-3-2-4-8-14/h2-12H,1H3,(H,20,23)(H,21,24).
What are the key properties of methyl 3-[[6-(phenylcarbamoyl)pyridazin-3-yl]amino]benzoate?
methyl 3-[[6-(phenylcarbamoyl)pyridazin-3-yl]amino]benzoate has a molecular weight of 348.36 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-(phenylcarbamoyl)pyridazin-3-yl]amino]benzoate is sourced from PubChem (CID 109126698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).