ethyl 2-[[6-(dipropylamino)pyridazine-3-carbonyl]amino]benzoate

C20H26N4O3 — CID 109126207

IUPACethyl 2-[[6-(dipropylamino)pyridazine-3-carbonyl]amino]benzoate
SMILESCCCN(CCC)c1ccc(C(=O)Nc2ccccc2C(=O)OCC)nn1
InChIInChI=1S/C20H26N4O3/c1-4-13-24(14-5-2)18-12-11-17(22-23-18)19(25)21-16-10-8-7-9-15(16)20(26)27-6-3/h7-12H,4-6,13-14H2,1-3H3,(H,21,25)
InChIKeyVOQSVIQRGJRZSC-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.53
Rot. Bonds9

About ethyl 2-[[6-(dipropylamino)pyridazine-3-carbonyl]amino]benzoate

ethyl 2-[[6-(dipropylamino)pyridazine-3-carbonyl]amino]benzoate (PubChem CID 109126207) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is ethyl 2-[[6-(dipropylamino)pyridazine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[6-(dipropylamino)pyridazine-3-carbonyl]amino]benzoate
PubChem CID109126207
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Nameethyl 2-[[6-(dipropylamino)pyridazine-3-carbonyl]amino]benzoate
SMILESCCCN(CCC)c1ccc(C(=O)Nc2ccccc2C(=O)OCC)nn1
InChIInChI=1S/C20H26N4O3/c1-4-13-24(14-5-2)18-12-11-17(22-23-18)19(25)21-16-10-8-7-9-15(16)20(26)27-6-3/h7-12H,4-6,13-14H2,1-3H3,(H,21,25)
InChIKeyVOQSVIQRGJRZSC-UHFFFAOYSA-N
XLogP3.53
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[6-(dipropylamino)pyridazine-3-carbonyl]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

ethyl 2-[[6-[(2-methylphenyl)methylamino]pyridazine-3-carbonyl]amino]benzoate
CID 109118102
ethyl 2-[[6-(1-phenylethylamino)pyridazine-3-carbonyl]amino]benzoate
CID 109118806
6-(dipropylamino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109126173
ethyl 2-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129372
N-(4-chlorophenyl)-6-(dipropylamino)pyridazine-3-carboxamide
CID 109126163
ethyl 2-[[6-[(4-methylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127135
N-(5-chloro-2-methoxyphenyl)-6-(dipropylamino)pyridazine-3-carboxamide
CID 109126166
ethyl 2-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]benzoate
CID 109179823
ethyl 2-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
CID 109195914
ethyl 2-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109090611
ethyl 2-[[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109333628
6-(dipropylamino)-N-propylpyridazine-3-carboxamide
CID 109109285

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-(dipropylamino)pyridazine-3-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[6-(dipropylamino)pyridazine-3-carbonyl]amino]benzoate (CID 109126207) is ethyl 2-[[6-(dipropylamino)pyridazine-3-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[6-(dipropylamino)pyridazine-3-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[6-(dipropylamino)pyridazine-3-carbonyl]amino]benzoate is CCCN(CCC)c1ccc(C(=O)Nc2ccccc2C(=O)OCC)nn1.
What is the InChIKey of ethyl 2-[[6-(dipropylamino)pyridazine-3-carbonyl]amino]benzoate?
The InChIKey is VOQSVIQRGJRZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-4-13-24(14-5-2)18-12-11-17(22-23-18)19(25)21-16-10-8-7-9-15(16)20(26)27-6-3/h7-12H,4-6,13-14H2,1-3H3,(H,21,25).
What are the key properties of ethyl 2-[[6-(dipropylamino)pyridazine-3-carbonyl]amino]benzoate?
ethyl 2-[[6-(dipropylamino)pyridazine-3-carbonyl]amino]benzoate has a molecular weight of 370.45 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-(dipropylamino)pyridazine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109126207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).