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

C17H20N4O3 — CID 109124468

IUPACmethyl 3-[[6-(diethylcarbamoyl)pyridazin-3-yl]amino]benzoate
SMILESCCN(CC)C(=O)c1ccc(Nc2cccc(C(=O)OC)c2)nn1
InChIInChI=1S/C17H20N4O3/c1-4-21(5-2)16(22)14-9-10-15(20-19-14)18-13-8-6-7-12(11-13)17(23)24-3/h6-11H,4-5H2,1-3H3,(H,18,20)
InChIKeyZDDUTXAIQLANHV-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.49
Rot. Bonds6

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

methyl 3-[[6-(diethylcarbamoyl)pyridazin-3-yl]amino]benzoate (PubChem CID 109124468) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl 3-[[6-(diethylcarbamoyl)pyridazin-3-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[6-(diethylcarbamoyl)pyridazin-3-yl]amino]benzoate
PubChem CID109124468
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Namemethyl 3-[[6-(diethylcarbamoyl)pyridazin-3-yl]amino]benzoate
SMILESCCN(CC)C(=O)c1ccc(Nc2cccc(C(=O)OC)c2)nn1
InChIInChI=1S/C17H20N4O3/c1-4-21(5-2)16(22)14-9-10-15(20-19-14)18-13-8-6-7-12(11-13)17(23)24-3/h6-11H,4-5H2,1-3H3,(H,18,20)
InChIKeyZDDUTXAIQLANHV-UHFFFAOYSA-N
XLogP2.49
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[6-(diethylcarbamoyl)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-(dipropylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109126263
6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124484
methyl 3-[[6-(2-methylpropylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109111297
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-[(4-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128785
methyl 3-[[6-[(2-chlorophenyl)methylcarbamoyl]pyridazin-3-yl]amino]benzoate
CID 109119781
methyl 3-[[6-(dimethylsulfamoylamino)pyridazin-3-yl]amino]benzoate
CID 113049450
methyl 3-[[5-[benzyl(ethyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109282808
6-(3-chloro-4-methylanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124442
6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124438
6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124466

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(diethylcarbamoyl)pyridazin-3-yl]amino]benzoate?
The IUPAC name of methyl 3-[[6-(diethylcarbamoyl)pyridazin-3-yl]amino]benzoate (CID 109124468) is methyl 3-[[6-(diethylcarbamoyl)pyridazin-3-yl]amino]benzoate.
What is the SMILES notation for methyl 3-[[6-(diethylcarbamoyl)pyridazin-3-yl]amino]benzoate?
The canonical SMILES for methyl 3-[[6-(diethylcarbamoyl)pyridazin-3-yl]amino]benzoate is CCN(CC)C(=O)c1ccc(Nc2cccc(C(=O)OC)c2)nn1.
What is the InChIKey of methyl 3-[[6-(diethylcarbamoyl)pyridazin-3-yl]amino]benzoate?
The InChIKey is ZDDUTXAIQLANHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-4-21(5-2)16(22)14-9-10-15(20-19-14)18-13-8-6-7-12(11-13)17(23)24-3/h6-11H,4-5H2,1-3H3,(H,18,20).
What are the key properties of methyl 3-[[6-(diethylcarbamoyl)pyridazin-3-yl]amino]benzoate?
methyl 3-[[6-(diethylcarbamoyl)pyridazin-3-yl]amino]benzoate has a molecular weight of 328.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-(diethylcarbamoyl)pyridazin-3-yl]amino]benzoate is sourced from PubChem (CID 109124468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).