methyl 2-[[6-(pyridin-3-ylmethylcarbamoyl)pyridazin-3-yl]amino]benzoate

C19H17N5O3 — CID 109121184

IUPACmethyl 2-[[6-(pyridin-3-ylmethylcarbamoyl)pyridazin-3-yl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(C(=O)NCc2cccnc2)nn1
InChIInChI=1S/C19H17N5O3/c1-27-19(26)14-6-2-3-7-15(14)22-17-9-8-16(23-24-17)18(25)21-12-13-5-4-10-20-11-13/h2-11H,12H2,1H3,(H,21,25)(H,22,24)
InChIKeyJAKGLTPDFHECAB-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.33
Rot. Bonds6

About methyl 2-[[6-(pyridin-3-ylmethylcarbamoyl)pyridazin-3-yl]amino]benzoate

methyl 2-[[6-(pyridin-3-ylmethylcarbamoyl)pyridazin-3-yl]amino]benzoate (PubChem CID 109121184) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is methyl 2-[[6-(pyridin-3-ylmethylcarbamoyl)pyridazin-3-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[6-(pyridin-3-ylmethylcarbamoyl)pyridazin-3-yl]amino]benzoate
PubChem CID109121184
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Namemethyl 2-[[6-(pyridin-3-ylmethylcarbamoyl)pyridazin-3-yl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(C(=O)NCc2cccnc2)nn1
InChIInChI=1S/C19H17N5O3/c1-27-19(26)14-6-2-3-7-15(14)22-17-9-8-16(23-24-17)18(25)21-12-13-5-4-10-20-11-13/h2-11H,12H2,1H3,(H,21,25)(H,22,24)
InChIKeyJAKGLTPDFHECAB-UHFFFAOYSA-N
XLogP2.33
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2-ethylanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121140
6-(4-chloroanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121155
6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121100
6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109120160
methyl 2-[[2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzoate
CID 112893624
6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121227
methyl 2-[[6-[2-(4-fluorophenyl)ethylcarbamoyl]pyridazin-3-yl]amino]benzoate
CID 109122187
6-[4-(diethylamino)anilino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121189
N-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109117896
methyl 2-[[6-[(4-ethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128007
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109123487
6-(4-cyanoanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121222

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(pyridin-3-ylmethylcarbamoyl)pyridazin-3-yl]amino]benzoate?
The IUPAC name of methyl 2-[[6-(pyridin-3-ylmethylcarbamoyl)pyridazin-3-yl]amino]benzoate (CID 109121184) is methyl 2-[[6-(pyridin-3-ylmethylcarbamoyl)pyridazin-3-yl]amino]benzoate.
What is the SMILES notation for methyl 2-[[6-(pyridin-3-ylmethylcarbamoyl)pyridazin-3-yl]amino]benzoate?
The canonical SMILES for methyl 2-[[6-(pyridin-3-ylmethylcarbamoyl)pyridazin-3-yl]amino]benzoate is COC(=O)c1ccccc1Nc1ccc(C(=O)NCc2cccnc2)nn1.
What is the InChIKey of methyl 2-[[6-(pyridin-3-ylmethylcarbamoyl)pyridazin-3-yl]amino]benzoate?
The InChIKey is JAKGLTPDFHECAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-27-19(26)14-6-2-3-7-15(14)22-17-9-8-16(23-24-17)18(25)21-12-13-5-4-10-20-11-13/h2-11H,12H2,1H3,(H,21,25)(H,22,24).
What are the key properties of methyl 2-[[6-(pyridin-3-ylmethylcarbamoyl)pyridazin-3-yl]amino]benzoate?
methyl 2-[[6-(pyridin-3-ylmethylcarbamoyl)pyridazin-3-yl]amino]benzoate has a molecular weight of 363.38 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(pyridin-3-ylmethylcarbamoyl)pyridazin-3-yl]amino]benzoate is sourced from PubChem (CID 109121184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).