methyl 4-[azetidine-3-carbonyl(pyridazin-3-yl)amino]benzoate

C16H16N4O3 — CID 90012872

IUPACmethyl 4-[azetidine-3-carbonyl(pyridazin-3-yl)amino]benzoate
SMILESCOC(=O)c1ccc(N(C(=O)C2CNC2)c2cccnn2)cc1
InChIInChI=1S/C16H16N4O3/c1-23-16(22)11-4-6-13(7-5-11)20(14-3-2-8-18-19-14)15(21)12-9-17-10-12/h2-8,12,17H,9-10H2,1H3
InChIKeyFXZRRXMMQFUMFX-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.15
Rot. Bonds4

About methyl 4-[azetidine-3-carbonyl(pyridazin-3-yl)amino]benzoate

methyl 4-[azetidine-3-carbonyl(pyridazin-3-yl)amino]benzoate (PubChem CID 90012872) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is methyl 4-[azetidine-3-carbonyl(pyridazin-3-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[azetidine-3-carbonyl(pyridazin-3-yl)amino]benzoate
PubChem CID90012872
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Namemethyl 4-[azetidine-3-carbonyl(pyridazin-3-yl)amino]benzoate
SMILESCOC(=O)c1ccc(N(C(=O)C2CNC2)c2cccnn2)cc1
InChIInChI=1S/C16H16N4O3/c1-23-16(22)11-4-6-13(7-5-11)20(14-3-2-8-18-19-14)15(21)12-9-17-10-12/h2-8,12,17H,9-10H2,1H3
InChIKeyFXZRRXMMQFUMFX-UHFFFAOYSA-N
XLogP1.15
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[azetidine-3-carbonyl(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

N-[4-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
CID 90012619
N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]sulfonylphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
CID 90012472
(3S)-N-[4-[(3R)-3-(4-fluorobenzoyl)pyrrolidin-3-yl]oxyphenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 90012437
(3S)-N-[4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 90012464
N-[4-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]sulfonylphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
CID 90012518
methyl 4-(azetidine-3-carbonyl)benzoate;hydrochloride
CID 86263323
(3S)-N-[4-[1-(2-methylcyclopropanecarbonyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 90013026
N-(4-methylpyridazin-3-yl)-N-(4-piperidin-4-ylphenyl)azetidine-3-carboxamide
CID 90012219
methyl 4-[(3R)-pyrrolidine-3-carbonyl]benzoate
CID 99934590
methyl 4-(4-methoxycarbonyl-N-methylanilino)benzoate
CID 11335546
methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate
CID 143837659
N-(pyridazin-3-ylmethyl)azetidine-3-carboxamide
CID 106896192

Frequently Asked Questions

What is the IUPAC name of methyl 4-[azetidine-3-carbonyl(pyridazin-3-yl)amino]benzoate?
The IUPAC name of methyl 4-[azetidine-3-carbonyl(pyridazin-3-yl)amino]benzoate (CID 90012872) is methyl 4-[azetidine-3-carbonyl(pyridazin-3-yl)amino]benzoate.
What is the SMILES notation for methyl 4-[azetidine-3-carbonyl(pyridazin-3-yl)amino]benzoate?
The canonical SMILES for methyl 4-[azetidine-3-carbonyl(pyridazin-3-yl)amino]benzoate is COC(=O)c1ccc(N(C(=O)C2CNC2)c2cccnn2)cc1.
What is the InChIKey of methyl 4-[azetidine-3-carbonyl(pyridazin-3-yl)amino]benzoate?
The InChIKey is FXZRRXMMQFUMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-23-16(22)11-4-6-13(7-5-11)20(14-3-2-8-18-19-14)15(21)12-9-17-10-12/h2-8,12,17H,9-10H2,1H3.
What are the key properties of methyl 4-[azetidine-3-carbonyl(pyridazin-3-yl)amino]benzoate?
methyl 4-[azetidine-3-carbonyl(pyridazin-3-yl)amino]benzoate has a molecular weight of 312.33 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[azetidine-3-carbonyl(pyridazin-3-yl)amino]benzoate is sourced from PubChem (CID 90012872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).