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

C17H18N4O3 — CID 113049442

IUPACmethyl 3-[[6-(cyclobutanecarbonylamino)pyridazin-3-yl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2ccc(NC(=O)C3CCC3)nn2)c1
InChIInChI=1S/C17H18N4O3/c1-24-17(23)12-6-3-7-13(10-12)18-14-8-9-15(21-20-14)19-16(22)11-4-2-5-11/h3,6-11H,2,4-5H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyBNBTYVOTVCJANO-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.75
Rot. Bonds5

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

methyl 3-[[6-(cyclobutanecarbonylamino)pyridazin-3-yl]amino]benzoate (PubChem CID 113049442) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is methyl 3-[[6-(cyclobutanecarbonylamino)pyridazin-3-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[6-(cyclobutanecarbonylamino)pyridazin-3-yl]amino]benzoate
PubChem CID113049442
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Namemethyl 3-[[6-(cyclobutanecarbonylamino)pyridazin-3-yl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2ccc(NC(=O)C3CCC3)nn2)c1
InChIInChI=1S/C17H18N4O3/c1-24-17(23)12-6-3-7-13(10-12)18-14-8-9-15(21-20-14)19-16(22)11-4-2-5-11/h3,6-11H,2,4-5H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyBNBTYVOTVCJANO-UHFFFAOYSA-N
XLogP2.75
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[6-(cyclobutanecarbonylamino)pyridazin-3-yl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[[6-(2,2-dimethylpropanoylamino)pyridazin-3-yl]amino]benzoate
CID 113049402
methyl 3-[[5-(oxane-4-carbonylamino)-2-pyridinyl]amino]benzoate
CID 113020710
methyl 3-[[2-(cyclobutanecarbonylamino)acetyl]amino]benzoate
CID 112999895
methyl 3-[[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113049413
methyl 3-[[6-(phenylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109126698
methyl 3-[[6-(3-acetylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129789
methyl 3-[[6-(dimethylsulfamoylamino)pyridazin-3-yl]amino]benzoate
CID 113049450
methyl 3-[[6-[(4-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128785
N-[6-(3-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113048185
methyl 3-[[6-(oxolane-2-carbonylamino)-3-pyridinyl]amino]benzoate
CID 113035315
methyl 3-[[6-(diethylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109124468
N-[5-(3-methoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113034101

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(cyclobutanecarbonylamino)pyridazin-3-yl]amino]benzoate?
The IUPAC name of methyl 3-[[6-(cyclobutanecarbonylamino)pyridazin-3-yl]amino]benzoate (CID 113049442) is methyl 3-[[6-(cyclobutanecarbonylamino)pyridazin-3-yl]amino]benzoate.
What is the SMILES notation for methyl 3-[[6-(cyclobutanecarbonylamino)pyridazin-3-yl]amino]benzoate?
The canonical SMILES for methyl 3-[[6-(cyclobutanecarbonylamino)pyridazin-3-yl]amino]benzoate is COC(=O)c1cccc(Nc2ccc(NC(=O)C3CCC3)nn2)c1.
What is the InChIKey of methyl 3-[[6-(cyclobutanecarbonylamino)pyridazin-3-yl]amino]benzoate?
The InChIKey is BNBTYVOTVCJANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-24-17(23)12-6-3-7-13(10-12)18-14-8-9-15(21-20-14)19-16(22)11-4-2-5-11/h3,6-11H,2,4-5H2,1H3,(H,18,20)(H,19,21,22).
What are the key properties of methyl 3-[[6-(cyclobutanecarbonylamino)pyridazin-3-yl]amino]benzoate?
methyl 3-[[6-(cyclobutanecarbonylamino)pyridazin-3-yl]amino]benzoate has a molecular weight of 326.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-(cyclobutanecarbonylamino)pyridazin-3-yl]amino]benzoate is sourced from PubChem (CID 113049442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).