propyl 4-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]benzoate

C22H21N3O4 — CID 24677548

IUPACpropyl 4-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1
InChIInChI=1S/C22H21N3O4/c1-2-14-29-22(28)17-8-10-18(11-9-17)23-21(27)19-12-13-20(26)25(24-19)15-16-6-4-3-5-7-16/h3-13H,2,14-15H2,1H3,(H,23,27)
InChIKeyHOTFXBMIWLQJCJ-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.11
Rot. Bonds7

About propyl 4-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]benzoate

propyl 4-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]benzoate (PubChem CID 24677548) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is propyl 4-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]benzoate
PubChem CID24677548
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Namepropyl 4-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1
InChIInChI=1S/C22H21N3O4/c1-2-14-29-22(28)17-8-10-18(11-9-17)23-21(27)19-12-13-20(26)25(24-19)15-16-6-4-3-5-7-16/h3-13H,2,14-15H2,1H3,(H,23,27)
InChIKeyHOTFXBMIWLQJCJ-UHFFFAOYSA-N
XLogP3.11
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-6-oxo-N-[2-[[4-(propanoylamino)benzoyl]amino]ethyl]pyridazine-3-carboxamide
CID 121067031
[2-(4-methylanilino)-2-oxoethyl] 1-benzyl-6-oxopyridazine-3-carboxylate
CID 29313682
propyl 4-(pyridine-2-carbonylamino)benzoate
CID 17353106
1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 41247714
[2-(4-chloroanilino)-2-oxoethyl] 1-benzyl-6-oxopyridazine-3-carboxylate
CID 8891681
propyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate
CID 19580076
propyl 4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]benzoate
CID 55755392
1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 110877102
1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 42161849
N-(4-carbamoylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26012508
1-butyl-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707
1-benzyl-N-(3-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 26517474

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]benzoate?
The IUPAC name of propyl 4-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]benzoate (CID 24677548) is propyl 4-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]benzoate.
What is the SMILES notation for propyl 4-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]benzoate?
The canonical SMILES for propyl 4-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1.
What is the InChIKey of propyl 4-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]benzoate?
The InChIKey is HOTFXBMIWLQJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-2-14-29-22(28)17-8-10-18(11-9-17)23-21(27)19-12-13-20(26)25(24-19)15-16-6-4-3-5-7-16/h3-13H,2,14-15H2,1H3,(H,23,27).
What are the key properties of propyl 4-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]benzoate?
propyl 4-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]benzoate has a molecular weight of 391.43 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 24677548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).