ethyl 2-[[6-[(4-fluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate

C20H17FN4O3 — CID 109128564

IUPACethyl 2-[[6-[(4-fluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(C(=O)Nc2ccc(F)cc2)nn1
InChIInChI=1S/C20H17FN4O3/c1-2-28-20(27)15-5-3-4-6-16(15)23-18-12-11-17(24-25-18)19(26)22-14-9-7-13(21)8-10-14/h3-12H,2H2,1H3,(H,22,26)(H,23,25)
InChIKeyMEKZYPLYFMBAFA-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.79
Rot. Bonds6

About ethyl 2-[[6-[(4-fluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate

ethyl 2-[[6-[(4-fluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate (PubChem CID 109128564) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is ethyl 2-[[6-[(4-fluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[6-[(4-fluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
PubChem CID109128564
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Nameethyl 2-[[6-[(4-fluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(C(=O)Nc2ccc(F)cc2)nn1
InChIInChI=1S/C20H17FN4O3/c1-2-28-20(27)15-5-3-4-6-16(15)23-18-12-11-17(24-25-18)19(26)22-14-9-7-13(21)8-10-14/h3-12H,2H2,1H3,(H,22,26)(H,23,25)
InChIKeyMEKZYPLYFMBAFA-UHFFFAOYSA-N
XLogP3.79
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[6-[(4-fluorophenyl)carbamoyl]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

ethyl 2-[[6-[(4-methylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127135
ethyl 2-[[6-[(4-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113051053
ethyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128721
methyl 2-[[6-[(4-ethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128007
ethyl 4-[[6-(2-chloroanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109128602
ethyl 2-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129372
6-(2-ethoxyanilino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109127101
ethyl 2-[[6-(cyclopropylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109110175
ethyl 2-[[6-(4-fluoroanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109357982
ethyl 2-[[5-[(2-chlorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113022610
ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199714
N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyridazine-3-carboxamide
CID 109129455

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-[(4-fluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate?
The IUPAC name of ethyl 2-[[6-[(4-fluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate (CID 109128564) is ethyl 2-[[6-[(4-fluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[6-[(4-fluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate?
The canonical SMILES for ethyl 2-[[6-[(4-fluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate is CCOC(=O)c1ccccc1Nc1ccc(C(=O)Nc2ccc(F)cc2)nn1.
What is the InChIKey of ethyl 2-[[6-[(4-fluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate?
The InChIKey is MEKZYPLYFMBAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-2-28-20(27)15-5-3-4-6-16(15)23-18-12-11-17(24-25-18)19(26)22-14-9-7-13(21)8-10-14/h3-12H,2H2,1H3,(H,22,26)(H,23,25).
What are the key properties of ethyl 2-[[6-[(4-fluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate?
ethyl 2-[[6-[(4-fluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate has a molecular weight of 380.38 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-[(4-fluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate is sourced from PubChem (CID 109128564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).