methyl 4-[[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]amino]benzoate

C17H15N5O3 — CID 71791762

IUPACmethyl 4-[[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(-n3ccnc3C)nn2)cc1
InChIInChI=1S/C17H15N5O3/c1-11-18-9-10-22(11)15-8-7-14(20-21-15)16(23)19-13-5-3-12(4-6-13)17(24)25-2/h3-10H,1-2H3,(H,19,23)
InChIKeyIAMMLRYBKQVLIB-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.01
Rot. Bonds4

About methyl 4-[[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]amino]benzoate

methyl 4-[[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]amino]benzoate (PubChem CID 71791762) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is methyl 4-[[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]amino]benzoate
PubChem CID71791762
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Namemethyl 4-[[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(-n3ccnc3C)nn2)cc1
InChIInChI=1S/C17H15N5O3/c1-11-18-9-10-22(11)15-8-7-14(20-21-15)16(23)19-13-5-3-12(4-6-13)17(24)25-2/h3-10H,1-2H3,(H,19,23)
InChIKeyIAMMLRYBKQVLIB-UHFFFAOYSA-N
XLogP2.01
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]amino]benzoate (CID 71791762) is methyl 4-[[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccc(-n3ccnc3C)nn2)cc1.
What is the InChIKey of methyl 4-[[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]amino]benzoate?
The InChIKey is IAMMLRYBKQVLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-11-18-9-10-22(11)15-8-7-14(20-21-15)16(23)19-13-5-3-12(4-6-13)17(24)25-2/h3-10H,1-2H3,(H,19,23).
What are the key properties of methyl 4-[[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]amino]benzoate?
methyl 4-[[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]amino]benzoate has a molecular weight of 337.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 71791762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).